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• a,a'-Dichloro-o-xylene
IUPAC Name: 1,2-bis(chloromethyl)benzene | CAS Registry Number: 612-12-4
Synonyms: o-Xylylene dichloride, 1,2-Bis(chloromethyl)benzene, o-Bis(chloromethyl)benzene, Benzene, 1,2-bis(chloromethyl)-, alpha,alpha'-Dichloro-o-xylene, CCRIS 1773, 123889_ALDRICH, 36570_FLUKA, EINECS 210-291-8, NSC 71934, o-XYLENE, alpha,alpha'-DICHLORO-, NSC71934, BRN 2043675, .alpha.,.alpha.'-Dichloro-o-xylene, ZINC00330702, AI3-16046, o-Xylene, .alpha.,.alpha.'-dichloro-, LS-162600, 4-05-00-00927 (Beilstein Handbook Reference), AC-509/25002089

Molecular Formula: C8H8Cl2Molecular Weight: 175.055120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FMGGHNGKHRCJLL-UHFFFAOYSA-N

• Acetyl Sulphanilyl Chloride
IUPAC Name: 4-acetamidobenzenesulfonyl chloride | CAS Registry Number: 121-60-8
Synonyms: Dagenan chloride, N-Acetylsulfanilyl chloride, Acetylsulfanilyl chloride, N4-Acetylsulfanilyl chloride, 4-Chlorosulfonylacetanilide, p-Acetaminobenzenesulfonyl chloride, N-Acetylsulphanilyl chloride, Acetanilide-p-sulfonyl chloride, Sulfanilyl chloride, N-acetyl-, p-(Chlorosulfonyl)acetanilide, p-Acetamidobenzenesulfonyl chloride, p-Acetylaminobenzenesulfochloride, 4-Acetamidobenzenesulfonyl chloride, p-Acetamidophenylsulfonyl chloride, 4-Acetamidophenylsulfonyl chloride, HSDB 2712, 4'-(Chlorosulfonyl)acetanilide, 112747_ALDRICH, Benzenesulfonyl chloride, 4-(acetylamino)-, N(sup 4)-Acetylsulfanilyl chloride

Molecular Formula: C8H8ClNO3SMolecular Weight: 233.672020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GRDXCFKBQWDAJH-UHFFFAOYSA-N

• alpha-Toluenesulfonyl chloride
IUPAC Name: phenylmethanesulfonyl chloride | CAS Registry Number: 1939-99-7
Synonyms: Benzylsulfochloride, Benzylsulfonyl chloride, Phenylmethanesulfonyl chloride, Benzenemethanesulfonyl chloride, Toluenesulphonyl chloride, .alpha.-Toluenesulfonyl chloride, Methanesulfonyl chloride, phenyl-, 159719_ALDRICH, Toluene-alpha-sulphonyl chloride, BZS-0-0, NSC41894, EINECS 217-717-1, EINECS 247-990-2, NSC 41894, SBB016732, alpha-Toluenesulfonyl chloride (8CI), InChI=1/C7H7ClO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H, 26763-71-3

Molecular Formula: C7H7ClO2SMolecular Weight: 190.647280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OAHKWDDSKCRNFE-UHFFFAOYSA-N

• Amantadine hydrochloride
IUPAC Name: adamantan-1-amine hydrochloride | CAS Registry Number: 665-66-7
Synonyms: Symmetrel, Influenol, Midantane, Mydantane, Trivaline, Amazolon, Midantan, Amantan, Viregyt, Virosol, amantadine, Symadine, Virofral, Virasol, Amantadine HCl, Adamantine hydrochloride, Symmetrel (TN), 1-Adamantanamine hydrochloride, Adamantanamine hydrochloride, Adamantylamine hydrochloride

Molecular Formula: C10H18ClNMolecular Weight: 187.709620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: WOLHOYHSEKDWQH-UHFFFAOYSA-N

• Anisole
IUPAC Name: methoxybenzene | CAS Registry Number: 100-66-3
Synonyms: Methoxybenzene, ANISOLE, Benzene, methoxy-, Methyl phenyl ether, Anizol, Phenoxymethane, Benzene, methoxy, Anisol, Phenol methyl ether, Phenyl methyl ether, Ether, methyl phenyl, FEMA Number 2097, Ether, methyl phenyl-, HSDB 44, FEMA No. 2097, WLN: 1OR, 296295_ALDRICH, NSC 7920, 10520_FLUKA, 96109_FLUKA

Molecular Formula: C7H8OMolecular Weight: 108.137820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RDOXTESZEPMUJZ-UHFFFAOYSA-N

• Anthracene-9-carboxylic acid
IUPAC Name: anthracene-9-carboxylic acid | CAS Registry Number: 723-62-6
Synonyms: 9-Anthroic acid, 9-Anthracenecarboxylic acid, 9-Carboxyanthracene, ANCA, anthracene-9-carboxylic acid, 9-AC cpd, Spectrum_001457, Tocris-0963, Spectrum3_001767, Spectrum4_000875, Spectrum5_001807, 9-ACA, 9-anthracene carboxylic acid, A89405_ALDRICH, BSPBio_003233, KBioGR_001569, KBioSS_001937, 9-anthroic acid, sodium salt, Anthracene-10-carboxylic acid, DivK1c_000919

Molecular Formula: C15H10O2Molecular Weight: 222.238700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XGWFJBFNAQHLEF-UHFFFAOYSA-N

• Anthracene-9-Methanol
IUPAC Name: anthracen-9-ylmethanol | CAS Registry Number: 1468-95-7
Synonyms: 9-Anthracenemethanol, 9-Anthrylcarbinol, 9-Anthrylmethanol, 9-Methylolanthracene, 9-Hydroxymethylantracene, Anthracene-9-carbinol, 9-Hydroxymethylanthracene, 9-(Hydroxymethyl)anthracene, CCRIS 7297, 187240_ALDRICH, EINECS 215-998-5, NSC 241166, 9-ANTHRACENE METHYL CARBINOL, BRN 1873402, NSC241166, ZINC01763653, LS-20355, TL8001030, PB247694202, 4-06-00-04944 (Beilstein Handbook Reference)

Molecular Formula: C15H12OMolecular Weight: 208.255180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: JCJNNHDZTLRSGN-UHFFFAOYSA-N

• Benzaldehyde 2 Sulphonic Acid Ns Salt
IUPAC Name: sodium 2-formylbenzenesulfonate | CAS Registry Number: 1008-72-6
Synonyms: Sodium o-formylbenzenesulfonate, Sodium 2-formylbenzenesulfonate, Sodium o-benzaldehyde sulfonate, 2-Sulfobenzaldehyde sodium salt, Sodium 2-formyl-benzolsulfonate, Sodium benzaldehyde-2-sulfonate, Sodium 2-formylbenzenesulphonate, 12050_FLUKA, 2-Sulfobenzaldehyde, sodium salt, NSC 4868, EINECS 213-758-4, 2-Formylbenzenesulfonic acid sodium salt, Benzaldehyde-o-sulfonic acid sodium salt, o-Formylbenzenesulfonic acid sodium salt, Benzaldehyde-2-sulfonic acid sodium salt, o-FORMYLBENZENESULFONIC ACID, Na TECH, Benzenesulfonic acid, 2-formyl-, sodium salt, Benzenesulfonic acid, o-formyl-, sodium salt (8CI)

Molecular Formula: C7H5NaO4SMolecular Weight: 208.166970 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ADPUQRRLAAPXGT-UHFFFAOYSA-M

• Benzaldehyde 2,4 Disulfonic Acid
IUPAC Name: disodium 4-formylbenzene-1,3-disulfonate | CAS Registry Number: 33513-44-9
Synonyms: EINECS 251-551-0, Disodium 4-formylbenzene-1,3-disulphonate, 4-Formyl-1,3-benzenedisulfonic acid, disodium salt, 1,3-Benzenedisulfonic acid, 4-formyl-, disodium salt, BENZALDEHYDE-2,4-DISULFONIC ACID, Na SALT, TECH

Molecular Formula: C7H4Na2O7S2Molecular Weight: 310.212000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: UUKHCUPMVISNFW-UHFFFAOYSA-L

• Benzene, 1-chloro-3-(chloromethyl)-
IUPAC Name: 1-chloro-3-(chloromethyl)benzene | CAS Registry Number: 620-20-2
Synonyms: 3-Chlorobenzyl chloride, m-Chlorbenzyl chloride, m,alpha-Dichlorotoluene, 3,alpha-Dichlorotoluene, alpha,3-Dichlorotoluene, M-CHLOROBENZYL CHLORIDE, Toluene, m,.alpha.-dichloro-, m,.alpha.-Dichlorotoluene, 1-Chloro-3-(chloromethyl)benzene, 115886_ALDRICH, 23840_FLUKA, NSC76577, Toluene, m,alpha-dichloro- (8CI), EINECS 210-629-4, NSC 76577, ST5214158, TL8004017, InChI=1/C7H6Cl2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H

Molecular Formula: C7H6Cl2Molecular Weight: 161.028540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: DDGRAFHHXYIQQR-UHFFFAOYSA-N

• Benzofuran-2-one
IUPAC Name: 3H-1-benzofuran-2-one | CAS Registry Number: 553-86-6
Synonyms: 2-Coumaranone, 2(3H)-Benzofuranone, 3H-benzofuran-2-one, (3H)-Benzofuran-2-one, 124591_ALDRICH, EINECS 209-052-0, NSC227414, ZINC01757785, AI3-36067, InChI=1/C8H6O2/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4H,5H

Molecular Formula: C8H6O2Molecular Weight: 134.132040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ACZGCWSMSTYWDQ-UHFFFAOYSA-N

• Benzophenone Hydrazone
IUPAC Name: di(phenyl)methylidenehydrazine | CAS Registry Number: 5350-57-2
Synonyms: Benzophenone hydrazone, Benzophenonehydrazone, Diphenylmethanone hydrazone, Benzophenone, hydrazone, Diphenyl ketone hydrazone, Methanone, diphenyl-, hydrazone, B9602_ALDRICH, NSC 43, NSC43, Diphenyldiazomethane precursor, CBDivE_000311, MLS001181010, EINECS 226-321-8, SBB007642, ZINC00270781, Benzophenone, hydrazone (6CI,7CI,8CI), AI3-52536, LS-91250, SMR000475984, AE-848/30735021

Molecular Formula: C13H12N2Molecular Weight: 196.247780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QYCSNMDOZNUZIT-UHFFFAOYSA-N

• Benzophenone-2
IUPAC Name: bis(2,4-dihydroxyphenyl)methanone | CAS Registry Number: 131-55-5
Synonyms: Uvinol D-50, Uvinul D-50, 2,2',4,4'-Tetrahydroxybenzophenone, Methanone, bis(2,4-dihydroxyphenyl)-, Oprea1_250768, T16403_ALDRICH, Bis(2,4-dihydroxyphenyl)methanone, 2,4,2',4'-Tetrahydroxybenzophenone, 2,2',4,4'-hydroxybenophenone, EINECS 205-028-9, NSC 38556, 2,2',4,4'-Tetrahydroxy-benzophenone, BENZOPHENONE, 2,2',4,4'-TETRAHYDROXY-, NSC38556, 2,2'4,4'-Tetrahydroxybenzophenone, BRN 1914746, SBB003178, ZINC00039103, LS-38951, 4-08-00-03505 (Beilstein Handbook Reference)

Molecular Formula: C13H10O5Molecular Weight: 246.215500 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: WXNRYSGJLQFHBR-UHFFFAOYSA-N

• Benzyl 2-naphthyl ether
IUPAC Name: 2-(phenylmethoxy)naphthalene | CAS Registry Number: 613-62-7
Synonyms: 2-phenylmethoxy-naphthalene, Naphthalene, 2-(phenylmethoxy)-, ZINC00968696, AI3-00945, ST5407267, TL8003890, AE-641/04259009

Molecular Formula: C17H14OMolecular Weight: 234.292460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WLTCCDHHWYAMCG-UHFFFAOYSA-N

• Bis(2-chloroethyl)amine hydrochloride
IUPAC Name: 2-chloro-N-(2-chloroethyl)ethanamine hydrochloride | CAS Registry Number: 821-48-7
Synonyms: nor-Lost hydrochlorid, Nor-HN2, Nor-HN2 hydrochloride, LEO 72a, B38503_ALDRICH, WLN: G2M2G &GH, Nornitrogen mustard hydrochloride, 2,2'-Dichlorodiethylamine hydrochloride, Nor-nitrogen mustard hydrochloride, NC 26, Di-2-chloroethylamine hydrochloride, Bis(2-chloroethyl)ammonium chloride, NSC10873, BIS(beta-CHLOROETHYL)AMINE HCL, CID522769, NSC 10873, SK 555, TL 161, Bis(.beta.-chloroethyl)amine hydrochloride, N,N-Bis(2-chloroethyl)amine hydrochloride

Molecular Formula: C4H10Cl3NMolecular Weight: 178.487900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: YMDZDFSUDFLGMX-UHFFFAOYSA-N

• Boc-4-Nitro-L-phenylalanine
IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoic acid | CAS Registry Number: 33305-77-0
Synonyms: Phenylalanine, N-BOC-4-nitro-, EINECS 251-450-1, ST5411678, N-(tert-Butoxycarbonyl)-4-nitrophenylalanine, Phenylalanine, N-t-bbutoxycarbonyl-4-nitro-, N-(tert-Butoxycarbonyl)-4-nitro-3-phenyl-L-alanine, 2-tert-Butoxycarbonylamino-3-(4-nitro-phenyl)-propionic acid

Molecular Formula: C14H18N2O6Molecular Weight: 310.302520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: XBQADBXCNQPHHY-UHFFFAOYSA-N

• Bromochlorophene
IUPAC Name: 2-bromo-6-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl]-4-chlorophenol | CAS Registry Number: 15435-29-7
Synonyms: Bromchlorophene, Bromochlorophen, Brophen, Bromochlorofen [Polish], Oprea1_679083, EINECS 239-446-8, CID84907, BRN 2293981, ZINC02526196, 2,2'-Methylenebis(6-bromo-4-chlorophenol), Phenol, 2,2'-methylenebis(6-bromo-4-chloro-, LS-104845, 6,6'-Dibrom-4,4'-dichlor-2,2'-methylendiphenol, Phenol, 2,2'-methylenebis[6-bromo-4-chloro-, 3,3-Dibromo-5,5-dichloro-2,2-dihydroxy-diphenylmethane, 3,3-Dibromo-5,5-dichloro-2,2-dihydroxydiphenylmethane, 3-06-00-05408 (Beilstein Handbook Reference), 3,3'-Dibromo-5,5'-dichloro-2,2'-dihydroxydiphenylmethane, 3,3'-Dwubromo-5,5'-dwuchloro-2,2'-dwuhydroksy-dwufenylo-metan [Polish]

Molecular Formula: C13H8Br2Cl2O2Molecular Weight: 426.915420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: TYBHZVUFOINFDV-UHFFFAOYSA-N

• Butanoic acid, 3-(acetyloxy)-4-bromo-, (3S)-
IUPAC Name: 3-acetyloxy-4-bromobutanoic acid | CAS Registry Number: 191354-44-6
Synonyms: (S)-3-ACETOXY-4-BROMOBUTYRIC ACID, AGN-PC-01X6YP, 3-acetyloxy-4-bromobutanoic acid

Molecular Formula: C6H9BrO4Molecular Weight: 225.037260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RYWNWBFHMUEPNO-UHFFFAOYSA-N

• Butyryl Chloride
IUPAC Name: butanoyl chloride | CAS Registry Number: 141-75-3
Synonyms: Butyryl chloride, Butanoyl chloride, Butyric chloride, Butyroyl chloride, Butyric acid chloride, N-BUTYRYL CHLORIDE, CCRIS 5989, HSDB 6016, 109614_ALDRICH, 236349_ALDRICH, 19310_FLUKA, EINECS 205-498-5, UN2353, LS-830, ZINC02040974, NCGC00091749-01, ST5214053, Butyryl chloride [UN2353] [Flammable liquid], Butyryl chloride [UN2353] [Flammable liquid], InChI=1/C4H7ClO/c1-2-3-4(5)6/h2-3H2,1H

Molecular Formula: C4H7ClOMolecular Weight: 106.550780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DVECBJCOGJRVPX-UHFFFAOYSA-N

• Carvedilol EP IMpurity E
IUPAC Name: 2-(2-methoxyphenoxy)ethanamine;hydrochloride | CAS Registry Number: 64464-07-9
Synonyms: 2-(2-Methoxyphenoxy)ethylamine Hydrochloride, 2-(2-methoxyphenoxy)ethanamine Hydrochloride, 2-(2-Methoxyphenoxy)Ethylamine HCL, 2-(2-Methoxphenoxyl) Ethylamine HCl, 1-(2-Aminoethoxy)-2-methoxybenzene Hydrochloride, ACMC-1B7JW, AC1MC79N, SureCN1623557, KSC352Q5H, AC1Q3C49, CTK2F2853, MolPort-003-824-575, BB_SC-2768, methoxyphenoxyethanaminehydrochloride, ANW-52068, SBB093198, AKOS005073387, 2-(2-Aminoethoxy)anisole Hydrochloride, AC-1996, AG-A-28932

Molecular Formula: C9H14ClNO2Molecular Weight: 203.665960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: KNWPXZOMSZABHD-UHFFFAOYSA-N

• Chloromethyl Pivalate
IUPAC Name: chloromethyl 2,2-dimethylpropanoate | CAS Registry Number: 18997-19-8
Synonyms: Chloromethyl pivalate, POM-Cl, Pivaloyloxymethyl chloride, 141186_ALDRICH, TPC-I029, CID87885, EINECS 242-735-1, ZINC02242620, Propanoic acid, 2,2-dimethyl-, chloromethyl ester, TL8001550

Molecular Formula: C6H11ClO2Molecular Weight: 150.603340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GGRHYQCXXYLUTL-UHFFFAOYSA-N

• Chloropyrimidines
IUPAC Name: 2-chloropyrimidine | CAS Registry Number: 1722-12-9
Synonyms: 2-Chloropyrimidine, PYRIMIDINE, 2-CHLORO-, 2-Chloro-4-deoxyuracil, 193291_ALDRICH, AIDS023071, BB_SC-2990, AIDS-023071, NSC43544, EINECS 217-020-2, NSC 43544, ZINC01676249, TL806422, InChI=1/C4H3ClN2/c5-4-6-2-1-3-7-4/h1-3

Molecular Formula: C4H3ClN2Molecular Weight: 114.533020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UNCQVRBWJWWJBF-UHFFFAOYSA-N

• Chlorothymol
IUPAC Name: 4-chloro-5-methyl-2-propan-2-ylphenol | CAS Registry Number: 89-68-9
Synonyms: Chlorthymol, 6-Chlorothymol, 4-Chlorothymol, Pioral, THYMOL, 6-CHLORO-, Caswell No. 216, Pioral (TN), Caniprevent [veterinary], Chlorothymol [NF XII], C10H13ClO, 4-Chloro-6-isopropyl-3-methylphenol, 261416_ALDRICH, Caniprevent [veterinary] (TN), EINECS 201-930-1, CID6982, NSC4964, EPA Pesticide Chemical Code 080403, NSC 406261, Phenol, 4-chloro-5-methyl-2-(1-methylethyl)-, 4-Chlor-2-isopropyl-5-methylphenol

Molecular Formula: C10H13ClOMolecular Weight: 184.662620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: KFZXVMNBUMVKLN-UHFFFAOYSA-N

• Chloroxylenol
IUPAC Name: 4-chloro-3,5-dimethylphenol | CAS Registry Number: 88-04-0
Synonyms: chloroxylenol, Benzytol, Ottasept, Espadol, Desson, Dettol, Ottasept Extra, Husept Extra, Willenol V, Chlorxylenolum, Chloro-xylenol, 4-Chloro-3,5-dimethylphenol, p-Chloro-m-xylenol, 4-Chloro-m-xylenol, Nipacide MX, PCMX, Septiderm-Hydrochloride, Chloroxylenol(USAN, p-Chloro-3,5-xylenol, 2-Chloro-m-xylenol

Molecular Formula: C8H9ClOMolecular Weight: 156.609460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: OSDLLIBGSJNGJE-UHFFFAOYSA-N

• Cis Tosylate
IUPAC Name: [(4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate | CAS Registry Number: 134071-44-6
Synonyms: FT-0666611, cis-[2-(2,4-Dichlorophenyl)-2-(1H-imidazol-yl methyl)-

Molecular Formula: C21H20Cl2N2O5SMolecular Weight: 483.364900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: WAXNIYHZFWRPGS-OQHSHRKDSA-N

• cis-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-ylmethyl methanesulfonate
IUPAC Name: [(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate | CAS Registry Number: 61397-61-3
Synonyms: EINECS 262-768-5, MolPort-000-150-112, ZINC15042480, CID6454185, cis-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-ylmethyl methanesulphonate

Molecular Formula: C15H16Cl2N2O5SMolecular Weight: 407.268940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: RSLKNHRJTOZPGF-SWLSCSKDSA-N

• Clorophene
IUPAC Name: 4-chloro-2-(phenylmethyl)phenol | CAS Registry Number: 120-32-1
Synonyms: Chlorophene, Neosabenyl, Septiphene, Clorofene, Santophen, Santophen 1, Benzylchlorophenol, Bio-Clave, Santophen I, Neosobenil, Sentiphene, Ketolin H, Ketolin-H, Santophen I germicide, 2-Benzyl-4-chlorophenol, Preventol B, Santophen 1 flake, p-Chloro-o-benzylphenol, o-Benzylchlorophenol, Clorophene [USAN]

Molecular Formula: C13H11ClOMolecular Weight: 218.678840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NCKMMSIFQUPKCK-UHFFFAOYSA-N

• Cyanoacetamide
IUPAC Name: 2-cyanoacetamide | CAS Registry Number: 107-91-5
Synonyms: Cyanacetamide, 2-Cyanoacetamide, Malonamonitrile, Nitrilomalonamide, Acetamide, 2-cyano-, CYANOACETAMIDE, Malonamide nitrile, Kyanacetamid, Cyanoiminoacetic acid, Propionamide nitrile, 3-Nitrilo-propionamide, Kyanacetamid (czech), alpha-Cyanoacetamide, Propionamide, 3-nitrilo-, .alpha.-Cyanoacetamide, USAF KF-14, Amid kyseliny kyanoctove, WLN: ZV1CN, Amid kyseliny kyanoctove (czech), HSDB 2817

Molecular Formula: C3H4N2OMolecular Weight: 84.076660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DGJMPUGMZIKDRO-UHFFFAOYSA-N

• D-(-)P-Hydroxy Phenyl Glycine
IUPAC Name: (2R)-2-amino-2-(4-hydroxyphenyl)acetic acid | CAS Registry Number: 22818-40-2
Synonyms: OXFENICINE, 4-Hydroxyphenylglycine, D-4-Hydroxyphenylglycine, 4-Hydroxy-D-phenylglycine, D-N-(4-Hydroxyphenyl)glycine, 215333_ALDRICH, CHEBI:15695, CID89853, EINECS 245-247-7, (2R)-amino(4-hydroxyphenyl)acetic acid, (R)-alpha-Amino-4-hydroxybenzeneacetic acid, ST5406520, C03493, Benzeneacetic acid, alpha-amino-4-hydroxy-, (alphaR)-

Molecular Formula: C8H9NO3Molecular Weight: 167.161960 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: LJCWONGJFPCTTL-SSDOTTSWSA-N

• D-3-(1-naphthyl)alanine
IUPAC Name: (2S)-2-amino-3-naphthalen-1-ylpropanoic acid | CAS Registry Number: 55516-54-6
Synonyms: L-1-Naphthylalanine, 3-(1-Naphthyl)-L-alanine, N1521_SIGMA, AL101-1, ST5307256, TL8003623, (S)-alpha-Amino-1-naphthalenepropanoic acid

Molecular Formula: C13H13NO2Molecular Weight: 215.247820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: OFYAYGJCPXRNBL-LBPRGKRZSA-N

• D-tert-Leucine
IUPAC Name: (2R)-2-amino-3,3-dimethylbutanoic acid | CAS Registry Number: 26782-71-8
Synonyms: d-t-leucine, h-tbu-d-gly-oh, (r)-tert-leucine, h-d-tle-oh, (R)-2-Amino-3,3-dimethylbutyric acid, D-alpha-tert-Butylglycine, (2R)-2-amino-3,3-dimethylbutanoic acid, D-t-Butylglycine, D-TLE-OH, H-D-TERT-LEU-OH, (r)-2-amino-3,3-dimethylbutanoic acid, D-2-TERT-BUTYLGLYCINE, D-ALPHA-TERT-BUTYL-GLY-OH, D-2-AMINO-3,3-DIMETHYLBUTANOIC ACID, h-d-(tbu)gly-oh, AmbotzHAA1514, PubChem15620, AC1OCTF8, AC1Q1LIQ, 269115_ALDRICH

Molecular Formula: C6H13NO2Molecular Weight: 131.172920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: NPDBDJFLKKQMCM-BYPYZUCNSA-N

• Dapsone
IUPAC Name: 4-(4-aminophenyl)sulfonylaniline | CAS Registry Number: 80-08-0
Synonyms: dapsone, Diaphenylsulfone, Disulone, Dapson, Diaphenylsulfon, Avlosulfone, Diphenasone, Sulfadione, Sulfona, Aczone, Udolac, Metabolite C, Sulfonyldianiline, Croysulfone, Sulphadione, Acedapsone, Avlosulfon, Novophone, Dapsonum, Dumitone

Molecular Formula: C12H12N2O2SMolecular Weight: 248.300880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: MQJKPEGWNLWLTK-UHFFFAOYSA-N

• Demoxepam
IUPAC Name: 7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-one | CAS Registry Number: 963-39-3
Synonyms: Demossepam, Demoxepamum, Chlordiazepoxide lactam, Demossepam [DCIT], Ro 5-2092 lactam, Demoxepamum [INN-Latin], Demoxepam (USAN/INN), Demoxepam [USAN:INN], ChemDiv1_028594, C15H11ClN2O2, MLS001209924, Bio-0752, Ro 5-2092, NSC46077, EINECS 213-515-2, MolPort-000-730-605, MolPort-001-729-112, NSC 46077, NSC-46077, NSC169898

Molecular Formula: C15H11ClN2O2Molecular Weight: 286.713040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PSADRZMLSXCSAS-UHFFFAOYSA-N

• DHBP
IUPAC Name: (2,4-dihydroxyphenyl)-phenylmethanone | CAS Registry Number: 131-56-6
Synonyms: Benzoresorcinol, Resbenzophenone, Benzophenone-1, Inhibitor DHBP, Advastab 48, Uvistat 12, 4-Benzoyl resorcinol, Uvinol 400, Uvinul 400, Quinsorb 010, Syntase 100, Eastman Inhibitor DHPB, Dastib 263, DHBP cpd, 4-Benzoylresorcinol, Benzophenone, 2,4-dihydroxy-, 2,4-DIHYDROXYBENZOPHENONE, Enamine_001926, UF 1, USAF DO-28

Molecular Formula: C13H10O3Molecular Weight: 214.216700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ZXDDPOHVAMWLBH-UHFFFAOYSA-N

• Dichlorophen
IUPAC Name: 4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol | CAS Registry Number: 97-23-4
Synonyms: dichlorophene, Dichlorofen, Dichlorphen, Teniathane, Vermithana, Anthiphen, Didroxane, Prevental, Taeniatol, Antiphen, Cordocel, Dicestal, Didroxan, Difentan, Embephen, Teniatol, Teniotol, Antifen, Halenol, Palacel

Molecular Formula: C13H10Cl2O2Molecular Weight: 269.123300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: MDNWOSOZYLHTCG-UHFFFAOYSA-N

• Dichloroxylenol
IUPAC Name: 2,4-dichloro-3,5-dimethylphenol | CAS Registry Number: 133-53-9
Synonyms: Decasept, Ottacide, Prinsyl, Hewsol, Dixol, Dichlorxylenolum, DCMX, Dichloro-m-xylenol, Dicloroxilenolo [DCIT], 2,4-Dichloro-M,5-xylenol, 3,5-Xylenol, 2,4-dichloro-, Dicloroxilenol [INN-Spanish], Dichloroxylenolum [INN-Latin], 2,4-Dichloro-3,5-dimethylphenol, 3,5-Dimethyl-2,4-dichlorophenol, Phenol, 2,4-dichloro-3,5-dimethyl-, Dichloroxylenol [BAN:DCF:INN], HSDB 2778, 2,4-DICHLORO-3,5-XYLENOL, CID8621

Molecular Formula: C8H8Cl2OMolecular Weight: 191.054520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: IYOLBFFHPZOQGW-UHFFFAOYSA-N

• Diclofenac Amide
IUPAC Name: 1-(2,6-dichlorophenyl)-3H-indol-2-one | CAS Registry Number: 15362-40-0
Synonyms: ChemDiv3_002423, MLS000527383, EINECS 239-399-3, 1-(2,6-Dichlorophenyl)indolin-2-one, BRN 1538309, NSC621845, ZINC00170657, BAS 01026882, LS-83776, NCI60_006351, SMR000117857, 1-(2,6-Dichloro-phenyl)-1,3-dihydro-indol-2-one, 1,3-Dihydro-1-(2,6-dichlorophenyl)-2H-indol-2-one, 1-(2,6-Dichlorophenyl)-1,3-dihydro-2H-indol-2-one, 2H-INDOL-2-ONE, 1,3-DIHYDRO-1-(2,6-DICHLOROPHENYL)-, A2202/0092681, 2H-Indol-2-one, 1-(2,6-dichlorophenyl)-1,3-dihydro-

Molecular Formula: C14H9Cl2NOMolecular Weight: 278.133360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JCICIFOYVSPMHG-UHFFFAOYSA-N

• Diethyl Methylmalonate
IUPAC Name: diethyl 2-methylpropanedioate | CAS Registry Number: 609-08-5
Synonyms: Diethyl 2-methylmalonate, Ethyl methylmalonate, DIETHYL METHYLMALONATE, Methylmalonic acid diethyl ester, Ethyl methylmalonate (VAN), 126136_ALDRICH, Malonic acid, methyl-, diethyl ester, 67760_FLUKA, Propanedioic acid, methyl-, diethyl ester, Methylmalonic acid, diethyl ester, NSC8700, AIDS017711, AIDS-017711, DIETHYL METHYLMALONATE, TECH, NSC 8700, EINECS 210-175-7, ZINC01648185, Malonic acid, methyl-, diethyl ester (8CI), M-4140, InChI=1/C8H14O4/c1-4-11-7(9)6(3)8(10)12-5-2/h6H,4-5H2,1-3H

Molecular Formula: C8H14O4Molecular Weight: 174.194360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: UPQZOUHVTJNGFK-UHFFFAOYSA-N

• Dimethoxycyclohexane
IUPAC Name: 1,1-dimethoxycyclohexane | CAS Registry Number: 933-40-4
Synonyms: Cyclohexane, 1,1-dimethoxy-, Cyclohexanone, dimethyl acetal, 1,1-DIMETHOXYCYCLOHEXANE, Cyclohexanone dimethyl ketal, 458597_ALDRICH, CID13616, SBB008403, FR-1369, InChI=1/C8H16O2/c1-9-8(10-2)6-4-3-5-7-8/h3-7H2,1-2H

Molecular Formula: C8H16O2Molecular Weight: 144.211440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XPIJMQVLTXAGME-UHFFFAOYSA-N

• Dimethyl 5-Aminoisophthalate
IUPAC Name: dimethyl 5-aminobenzene-1,3-dicarboxylate | CAS Registry Number: 99-27-4
Synonyms: Dimethyl 5-aminoisophthalate, 3,5-Dicarbomethoxyaniline, D142158_ALDRICH, ARONIS008420, AIDS020108, 5-Aminoisophthalic acid dimethyl ester, AIDS-020108, NSC34721, 5-Aminoisophthalic acid, dimethyl ester, EINECS 202-743-8, Isophthalic acid, 5-amino-, dimethyl ester, NSC 34721, ZINC00057151, FS000609, 1,3-Benzenedicarboxylic acid, 5-amino-, dimethyl ester, Dimethyl 5-aminobenzene-1,3-dicarboxylate, ST5319670, Isophthalic acid, 5-amino-, dimethyl ester (8CI), 50891-97-9

Molecular Formula: C10H11NO4Molecular Weight: 209.198640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: DEKPYXUDJRABNK-UHFFFAOYSA-N

• Dimethyl aminoterephthalate
IUPAC Name: dimethyl 2-aminobenzene-1,4-dicarboxylate | CAS Registry Number: 5372-81-6
Synonyms: Dimethyl 2-aminoterephthalate, Dimethyl 3-aminoterephthalate, MLS000039796, Aminoterephthalic acid dimethyl ester, 205370_ALDRICH, EINECS 226-364-2, NSC 20561, Terephthalic acid, amino-, dimethyl ester, NSC20561, 2-Aminoterephthalic acid, dimethyl ester, SBB000481, ZINC00119878, dimethyl 2-aminobenzene-1,4-dicarboxylate, 1,4-Benzenedicarboxylic acid, 2-amino-, dimethyl ester, SMR000035342, 3-Amino-4-methoxycarbonylbenzoic acid, methyl ester, LS-184946, InChI=1/C10H11NO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,11H2,1-2H

Molecular Formula: C10H11NO4Molecular Weight: 209.198640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: DSSKDXUDARIMTR-UHFFFAOYSA-N

• Dimethyl Carbamoyl Chloride
IUPAC Name: N,N-dimethylcarbamoyl chloride | CAS Registry Number: 79-44-7
Synonyms: Dimethylcarbamyl chloride, Dimethylcarbamic chloride, Carbamic chloride, dimethyl-, DMCC, Dimethylchloroformamide, Carbamoyl chloride, dimethyl-, Dimethylcarbamoylchloride, DIMETHYLCARBAMOYL CHLORIDE, Dimethylcarbamidoyl chloride, Dimethyl carbamoyl chloride, Dimethylcarbamic acid chloride, RCRA waste no. U097, N,N-Dimethylcarbamyl chloride, RCRA waste number U097, Chloroformic acid dimethylamide, N,N-Dimethylcarbamoyl chloride, Dimethyl carbamyl chloride, (Dimethylamino)carbonyl chloride, CCRIS 257, N,N-Dimethylcarbamidoyl chloride

Molecular Formula: C3H6ClNOMolecular Weight: 107.538840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YIIMEMSDCNDGTB-UHFFFAOYSA-N

• Dithiocyanatomethane
IUPAC Name: thiocyanatomethyl thiocyanate | CAS Registry Number: 6317-18-6
Synonyms: Proxel MB, Methylenedirhodanide, Methane, dithiocyanato-, Methylene dithiocyanate, Methylene bis(thiocyanate), Methylendirhodanid, Nalfloc N 206, Methylenedirhodanid, Caswell No. 565, Methylenebis(thiocyanate), METHYLENE THIOCYANATE, Thiocyanic acid, methylene ester, Nalco D-1994, Methylendirhodanid [Czech], WLN: NCS1SCN, Methylendithiokyanat [Czech], Methylenedirhodanid [German], CCRIS 636, HSDB 4497, 105090_ALDRICH

Molecular Formula: C3H2N2S2Molecular Weight: 130.191380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JWZXKXIUSSIAMR-UHFFFAOYSA-N

• Domperidone EP Impurity A
IUPAC Name: 6-chloro-3-piperidin-4-yl-1H-benzimidazol-2-one | CAS Registry Number: 53786-28-0
Synonyms: 552372_ALDRICH, EINECS 258-771-6, CID104607, SBB003137, 5-Chloro-1-(4-piperidyl)-2-benzimidazolinone, 5-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one

Molecular Formula: C12H14ClN3OMolecular Weight: 251.712060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DOAYWDKFDPSTSV-UHFFFAOYSA-N

• Ethyl (R)-(+)-4-Chloro-3-hydroxybutanoate
IUPAC Name: ethyl (3R)-4-chloro-3-hydroxybutanoate | CAS Registry Number: 90866-33-4
Synonyms: 460516_ALDRICH, ZINC02558233, Ethyl (R)-()-4-chloro-3-hydroxybutyrate, TL8005828, (R)-(+)-Ethyl-4-chloro-3-hydroxybutyrate

Molecular Formula: C6H11ClO3Molecular Weight: 166.602740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZAJNMXDBJKCCAT-RXMQYKEDSA-N

• Ethyl (R)-4-Cyano-3-Hydroxybutanoate
IUPAC Name: ethyl (3R)-4-cyano-3-hydroxybutanoate | CAS Registry Number: 141942-85-0
Synonyms: 479772_ALDRICH, ZINC02562594, ZINC02567777, CID2733879, TL8006150, (R)-4-Cyano-3-hydroxybutyric acid ethyl ester, (R)-(−)-Ethyl 4-cyano-3-hydroxybutyrate, Ethyl (R)-(−)-4-cyano-3-hydroxybutyrate

Molecular Formula: C7H11NO3Molecular Weight: 157.167140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LOQFROBMBSKWQY-ZCFIWIBFSA-N

• Ethyl (S)-(-)-4-Chloro-3-hydroxybutanoate
IUPAC Name: ethyl (3S)-4-chloro-3-hydroxybutanoate | CAS Registry Number: 86728-85-0
Synonyms: 460524_ALDRICH, 94893_FLUKA, ZINC02558232, (−)-Ethyl (S)-4-chloro-3-hydroxybutyrate

Molecular Formula: C6H11ClO3Molecular Weight: 166.602740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZAJNMXDBJKCCAT-YFKPBYRVSA-N

• Ethyl 4-Chloro Acetoacetate
IUPAC Name: ethyl 4-chloro-3-oxobutanoate | CAS Registry Number: 638-07-3
Synonyms: Ethyl 4-chloroacetoacetate, Ethyl gamma-chloroacetoacetate, Ethyl 4-chloro-3-oxobutanoate, CCRIS 6791, ghl.PD_Mitscher_leg0.842, 180769_ALDRICH, 22813_FLUKA, EINECS 211-317-0, Butanoic acid, 4-chloro-3-oxo-, ethyl ester, BRN 1761275, ZINC01845882, Acetoacetic acid, 4-chloro-, ethyl ester, LS-13047, ST5214458, TL8004494, 4-03-00-01550 (Beilstein Handbook Reference)

Molecular Formula: C6H9ClO3Molecular Weight: 164.586860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OHLRLMWUFVDREV-UHFFFAOYSA-N

• Ethyl thiooxamate
IUPAC Name: ethyl 2-amino-2-sulfanylideneacetate | CAS Registry Number: 16982-21-1
Synonyms: Ethyl aminothioxoacetate, 330280_ALDRICH, NSC174676, ZINC01711592

Molecular Formula: C4H7NO2SMolecular Weight: 133.168880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YMBMCMOZIGSBOA-UHFFFAOYSA-N

• Ethyl(S)-3-Hydroxybutyrate
IUPAC Name: ethyl 3-hydroxybutanoate | CAS Registry Number: 56816-01-4
Synonyms: Ethyl 3-hydroxybutyrate, Ethyl 3-hydroxybutanoate, Ethyl beta-hydroxybutyrate, Ethyl (1)-3-hydroxybutyrate, Ethyl dl-3-hydroxybutyrate, FEMA No. 3428, Butyric acid, 3-hydroxy-, ethyl ester, Butanoic acid, 3-hydroxy-, ethyl ester, E30603_ALDRICH, Ethyl (S)-3-hydroxybutyrate, W342807_ALDRICH, Ethyl 3-hydroxybutyrate (natural), NSC 8115, 54950_FLUKA, EINECS 226-456-2, EINECS 252-642-8, NSC8115, NSC 42916, NSC42916, EINECS 260-393-1

Molecular Formula: C6H12O3Molecular Weight: 132.157680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: OMSUIQOIVADKIM-UHFFFAOYSA-N


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