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Hallochem Pharma Co., Ltd.

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Profile: Hallochem Pharma Co., Ltd specializes in active pharmaceutical ingredients (API), veterinary drugs, agrochemicals, biochemicals, intermediates, and specialty chemicals. Our products include 10-deacetylbaccatin, 3-nitrosobenzamide, 6-mercaptopurine, abacavir, acebutolol hydrochloride, aceclofenac, aceglutamide aluminum, acemetacin, aciclovir, acipimox, and acitretin.

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• 5-[2-(Methylthio)ethyl]hydantoin
IUPAC Name: (5R)-5-(2-methylsulfanylethyl)imidazolidine-2,4-dione | CAS Registry Number: 13253-44-6
Synonyms: Methionine hydantoin, 5-(2-Methylthioethyl)hydantoin, EINECS 236-238-9, EINECS 245-673-3, 5-(beta-(Methylthio)ethyl)hydantoin, DL-5-(2-(Methylthio)ethyl)hydantoin, CID114629, DL-5-(beta-Methylmercaptoethyl)hydantoin, ZINC02106630, CP 93520, LS-79220, 5-(2-(Methylthio)ethyl)-2,4-imidazolidinedione, 5-(2-(Methylthio)ethyl)imidazolidine-2,4-dione, 2,4-Imidazolidinedione, 5-(2-(methylthio)ethyl)-, (1)-5-(2-(Methylthio)ethyl)imidazolidine-2,4-dione, Hydantoin, 5-(2-(methylthio)ethyl)- (6CI,7CI,8CI), 23459-78-1

Molecular Formula: C6H10N2O2SMolecular Weight: 174.220800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: SBKRXUMXMKBCLD-SCSAIBSYSA-N

• 2,4-Bis(trimethylsilyl)-5-fluorouracil
IUPAC Name: (5-fluoro-2-trimethylsilyloxypyrimidin-4-yl)oxy-trimethylsilane | CAS Registry Number: 17242-85-2
Synonyms: 5-Fluorouracil, TMS, Uracil, 5-fluoro, TMS, O,O'-Bis(trimethylsilyl)-5-fluorouracil

Molecular Formula: C10H19FN2O2Si2Molecular Weight: 274.439463 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: MPVQFVDWJDULDL-UHFFFAOYSA-N

• 3,3-Diphenylpropanol
IUPAC Name: 3,3-di(phenyl)propan-1-ol | CAS Registry Number: 20017-67-8
Synonyms: 3,3-Diphenyl-1-propanol, 1-Propanol, 3,3-diphenyl-, 3,3-DIPHENYLPROPANOL, Benzenepropanol, .gamma.-phenyl-, Benzenepropanol, .beta.-phenyl-, 188972_ALDRICH, NSC74499, EINECS 243-466-2, InChI=1/C15H16O/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H

Molecular Formula: C15H16OMolecular Weight: 212.286940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: IDCXQMVSIIJUEH-UHFFFAOYSA-N

• 2,6-Dichlorobenzaloxime
IUPAC Name: (NZ)-N-[(2,6-dichlorophenyl)methylidene]hydroxylamine | CAS Registry Number: 25185-95-9
Synonyms: ZINC00124443

Molecular Formula: C7H5Cl2NOMolecular Weight: 190.026700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YBSXDWIAUZOFFV-WMZJFQQLSA-N

• 4-Phenylpyridine
IUPAC Name: 4-phenylpyridine | CAS Registry Number: 939-23-1
Synonyms: 4-PHENYLPYRIDINE, p-Phenylpyridine, Pyridine, 4-phenyl-, AZABIPHENYL, P33429_ALDRICH, 79090_FLUKA, EINECS 213-357-4, NSC 70375, NSC 77935, NSC70375, NSC77935, BRN 0110490, SBB008518, ZINC00967333, FR-2206, LS-131888, 5-20-07-00549 (Beilstein Handbook Reference), AC-907/25014285, InChI=1/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9, 52642-16-7

Molecular Formula: C11H9NMolecular Weight: 155.195860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JVZRCNQLWOELDU-UHFFFAOYSA-N

• 2,5-Dithiobiurea (Dithiamide)
IUPAC Name: (carbamothioylamino)thiourea | CAS Registry Number: 142-46-1
Synonyms: Dithiobiurea, Bithiourea, Dithiourea, Bis(thiourea), Dithiobiuret, 2,5-DITHIOBIUREA, 2,5-Dithiodiurea, Bithiourea (VAN), Biurea, 2,5-dithio-, Dithiocarbamoylhydrazine, Dithiobiurea (VAN), 2,5-dithiourea, Hydrazodicarbothioamide, Bisthiocarbamyl hydrazine, 1,2-Hydrazinedicarbothioamide, USAF ek-p-6281, WLN: SUYZMMYZUS, Dithiocarbamoyl hydrazine, USAF B-44, USAF B-55

Molecular Formula: C2H6N4S2Molecular Weight: 150.225840 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 0

InChIKey: KCOYHFNCTWXETP-UHFFFAOYSA-N

• 2,4,5-Trimethoxyaniline
IUPAC Name: 2,4,5-trimethoxyaniline | CAS Registry Number: 26510-91-8
Synonyms: 2,4,5-TRIMETHOXYANILINE, SureCN1708452, Ambap26510-91-8, Benzenamine,2,4,5-trimethoxy-, CTK4F8036, ANW-71589, AKOS009395818, AG-E-83517, MCULE-9118703617, AK-77628, KB-17127, FT-0686999, I01-9161, Aniline,2,4,5-trimethoxy- (8CI); 2,4,5-Trimethoxyaniline;5-Amino-1,2,4-trimethoxybenzene

Molecular Formula: C9H13NO3Molecular Weight: 183.204420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: SXVWPPJHFOCGAD-UHFFFAOYSA-N

• 2,6-Bis(chloromethyl)pyridine
IUPAC Name: 2,6-bis(chloromethyl)pyridine | CAS Registry Number: 3099-28-3
Synonyms: 2,6-Bis-chloromethyl-pyridine, 405418_ALDRICH, alpha,alpha'-Dichloro-2,6-lutidine, NSC244982, ST5411229

Molecular Formula: C7H7Cl2NMolecular Weight: 176.043180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IWQNFYRJSVJWQA-UHFFFAOYSA-N

• 4-Amino-3,5-Dichlorobenzenesulfonamide
IUPAC Name: 4-amino-3,5-dichlorobenzenesulfonamide | CAS Registry Number: 22134-75-4
Synonyms: 3,5-Dichlorosulfanilamide, 3,5-Dichlorosulphanilamide, Sulfanilamide, 3,5-dichloro-, NCIOpen2_003243, Oprea1_647151, halogenosulfanilamide deriv. 9, Benzenesulfonamide, 4-amino-3,5-dichloro-, 4-Amino-3,5-dichlorobenzenesulfonamide, CID89607, NSC62888, EINECS 244-799-6, NSC 62888, ZINC01255236, T0518-0632, SDA

Molecular Formula: C6H6Cl2N2O2SMolecular Weight: 241.095040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DVZMRTJKNJKEGV-UHFFFAOYSA-N

• 6-Acetyaminochroman-4-One
IUPAC Name: N-(4-oxo-2,3-dihydrochromen-6-yl)acetamide | CAS Registry Number: 103646-29-3
Synonyms: 6-Acetyaminochroman-4-one, 6-acetamidochroman-4-one, N-(4-oxochroman-6-yl)acetamide, SureCN12316616, CTK6A0929, MolPort-001-770-714, n-(4-oxo-chroman-6-yl)-acetamide, OR9953, ZINC03880911, AKOS015999152, AG-A-88638, AK-51617, KB-60217, A-1960, A14019, N-(3,4-Dihydro-4-oxo-2H-chromen-6-yl)acetamide, N-(4-oxo-2,3-dihydro-1-benzopyran-6-yl)acetamide, S14-2679

Molecular Formula: C11H11NO3Molecular Weight: 205.209940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IASWWLNIFLMDBI-UHFFFAOYSA-N

• 1-Bromobutane
IUPAC Name: 1-bromobutane | CAS Registry Number: 109-65-9
Synonyms: Butyl bromide, Butane, 1-bromo-, n-Butylbromide, Bromobutane, N-BUTYL BROMIDE, 1-Butyl bromide, Butane, bromo-, sJPHAbIJuP@, 1-BROMO-BUTANE, CCRIS 831, HSDB 2195, 08953_FLUKA, 19681_FLUKA, B59497_SIAL, EINECS 203-691-9, UN1126, AI3-15308, LS-45622, TL8000306, 1-Bromobutane [UN1126] [Flammable liquid]

Molecular Formula: C4H9BrMolecular Weight: 137.018260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: MPPPKRYCTPRNTB-UHFFFAOYSA-N

• 2,3,6-Trimethylphenol
IUPAC Name: 2,3,6-trimethylphenol | CAS Registry Number: 2416-94-6
Synonyms: 2,3,6-TRIMETHYLPHENOL, 3-Hydroxypseudocumene, Phenol, 2,3,6-trimethyl-, Ambap1477, 1-Hydroxy-2,3,6-trimethylbenzene, T78700_ALDRICH, HSDB 5876, W396303_ALDRICH, 92693_FLUKA, EINECS 219-330-3, 2,3,6-TRIMETHYL PHENOL, NSC 91509, NSC91509, ZINC01592406, LS-184924, InChI=1/C9H12O/c1-6-4-5-7(2)9(10)8(6)3/h4-5,10H,1-3H, 50356-13-3

Molecular Formula: C9H12OMolecular Weight: 136.190980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: QQOMQLYQAXGHSU-UHFFFAOYSA-N

• 2 5-Dimethyl Hexane-2 5-Diol
IUPAC Name: 2,5-dimethylhexane-2,5-diol | CAS Registry Number: 110-03-2
Synonyms: Dimethylhexanediol, 2,5-Hexanediol, 2,5-dimethyl-, 2,5-Dimethylhexanediol, 2,5-Dimethylhexane-2,5-diol, MLS001055396, 2,5-DIMETHYL-2,5-HEXANEDIOL, 1,1,4,4-Tetramethyl-1,4-butanediol, 143618_ALDRICH, HSDB 5395, NSC5595, NSC 5595, EINECS 203-731-5, ZINC02504411, NCGC00090935-01, SMR000677933, 2,5-DIHYDROXY-2,5-DIMETHYLHEXANE, AI3-20685

Molecular Formula: C8H18O2Molecular Weight: 146.227320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZWNMRZQYWRLGMM-UHFFFAOYSA-N

• 2,2-Dichlorodiethyl Ether
IUPAC Name: 1-chloro-2-(2-chloroethoxy)ethane | CAS Registry Number: 111-44-4
Synonyms: Dichloroether, Khloreks, Chlorex, Clorex, Chloroethyl ether, 2-Chloroethyl ether, Dichloroethyl ether, Dichloroethyl oxide, Ether dichlore, Bis(2-chloroethyl)ether, DCEE, Dicholoroethyl ether, sym-Dichloroethyl ether, BCEE, s-Dichloroethyl ether, 2,2'-Dichlorethyl ether, Caswell No. 309, Bis-2-chloroethylether, Di(2-chloroethyl) ether, BIS(2-CHLOROETHYL) ETHER

Molecular Formula: C4H8Cl2OMolecular Weight: 143.011720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZNSMNVMLTJELDZ-UHFFFAOYSA-N

• 1,5-Anhydrosorbitol
IUPAC Name: (2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 154-58-5
Synonyms: Polygalytol, 1,5-Anhydroglucitol, 1,5-Anhydro-D-glucitol, 1,5-Anhydro-D-sorbitol, 1,5-ANHYDROSORBITOL, D-Glucitol, 1,5-anhydro-, 15-ANHYDRO-D-GLUCITOL, CHEBI:16070, CID64960, EINECS 205-829-3, ZINC04097377, C07326, (2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol, ASO, BGC, glc

Molecular Formula: C6H12O5Molecular Weight: 164.156480 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: MPCAJMNYNOGXPB-SLPGGIOYSA-N

• 3,3-Bis(P-Hydroxyphenyl)Oxindole
IUPAC Name: 3,3-bis(4-hydroxyphenyl)-1H-indol-2-one | CAS Registry Number: 125-13-3
Synonyms: Oxyphenisatin, Oxyphenisatine, Diphenolisatin, Isatinbisphenol, Oxiphenisatinum, Phenolisatin, Propellax, Veripaque, Hoscolax, Neodrast, Normalax, Recolon, Critex, Isolax, Lavema, Dihydroxyphenoloxindol, Oxifenisatina, Oxyphenisatinum, Nourilax, Acetphenolisatin

Molecular Formula: C20H15NO3Molecular Weight: 317.338000 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: SJDACOMXKWHBOW-UHFFFAOYSA-N

• 2-Dimethyl Amino Sulfonyl Phenthiazine
IUPAC Name: N,N-dimethyl-10H-phenothiazine-2-sulfonamide | CAS Registry Number: 1090-78-4
Synonyms: EINECS 214-128-1, CID70665, ZINC05317817, N,N-Dimethylphenothiazine-2-sulphonamide

Molecular Formula: C14H14N2O2S2Molecular Weight: 306.403160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: KMMXCCWCGOUAGH-UHFFFAOYSA-N

• 3-Nitroacetanilide
IUPAC Name: N-(3-nitrophenyl)acetamide | CAS Registry Number: 122-28-1
Synonyms: m-Nitroacetanilide, 3'-Nitroacetanilide, Acetanilide, 3'-nitro-, N-Acetyl-m-nitroaniline, 3-Nitro-N-acetylaniline, Acetamide, N-(3-nitrophenyl)-, Maybridge1_005437, N-(3-NITROPHENYL)ACETAMIDE, MLS000755735, 644250_ALDRICH, ARONIS013934, NSC1314, Acetanilide, 3'-nitro- (8CI), CID31206, NSC 1314, NSC99339, EINECS 204-532-6, STK257092, ZINC00171659, SMR000337404

Molecular Formula: C8H8N2O3Molecular Weight: 180.160720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KFTYNYHJHKCRKU-UHFFFAOYSA-N

• 4-Pyrimidinamine, 5-Fluoro-2-Methoxy-
IUPAC Name: 5-fluoro-2-methoxypyrimidin-4-amine | CAS Registry Number: 1993-63-1
Synonyms: 2-Methoxy-5-fluoro-4-aminopyrimidine, 4-Amino-5-fluoro-2-methoxypyrimidine, ACMC-1BP5X, KSC173O3B, CTK0H3730, 5-fluoro-2-methoxy-4-pyrimidinamine, 5-Fluoro-2-methoxypyrimidin-4-amine, ANW-23861, AKOS006342348, AG-E-45796, 4-Pyrimidinamine, 5-fluoro-2-methoxy-, 5-fluoranyl-2-methoxy-pyrimidin-4-amine, AK132938, AB1010867, KB-173508, Pyrimidine, 4-amino-5-fluoro-2-methoxy-;, A814096, I14-36700

Molecular Formula: C5H6FN3OMolecular Weight: 143.119043 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: BYALTIIVASWNSY-UHFFFAOYSA-N

• 3-(3-Aminophenyl)propionic Acid
IUPAC Name: 3-amino-3-phenylpropanoic acid | CAS Registry Number: 1664-54-6
Synonyms: (2H)Formaldehyde, DL-beta-Phenylalanine, 3-Phenyl-beta-alanine, 3A3PPA, beta-Phenyl-beta-alanine, DL-beta-Homophenylglycine, CBMicro_033522, beta-Aminohydrocinnamic acid, 3-Amino-3-phenylpropionic acid, Benzenepropanoic acid, 3-amino-, 159492_ALDRICH, dl-3-Amino-3-phenylpropionic acid, 71552_FLUKA, ZERO/001726, AKE-BBV-096424, NSC1979, dl-.beta.-Phenyl-.beta.-alanine, Benzenepropanoic acid, beta-amino-, 3-AMINO-3-PHENYLPROPANOIC ACID, CID69189

Molecular Formula: C9H11NO2Molecular Weight: 165.189140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: UJOYFRCOTPUKAK-UHFFFAOYSA-N

• 2-Chloro-4-Nitrotoluene
IUPAC Name: 2-chloro-1-methyl-4-nitrobenzene | CAS Registry Number: 121-86-8
Synonyms: o-Chloro-p-nitrotoluol, Toluene, 2-chloro-4-nitro-, 2-Chloro-1-methyl-4-nitrobenzene, Ambap7479, 2-Chlor-4-nitrotoluen, 2-CHLORO-4-NITROTOLUENE, 3-Chloro-4-methylnitrobenzene, 3-Chloro-4-methylaniline, Benzene, 2-chloro-1-methyl-4-nitro-, WLN: WNR CG D1, HSDB 5592, 2-Chloro-4-nitrotoluen [Czech], 125148_ALDRICH, 2-Chloro-4-nitro-1-methylbenzene, 45999_RIEDEL, EINECS 204-501-7, NSC 60111, NSC60111, BRN 1817924, ZINC00331675

Molecular Formula: C7H6ClNO2Molecular Weight: 171.581040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LLYXJBROWQDVMI-UHFFFAOYSA-N

• 1,2,4-Butanetriol
IUPAC Name: butane-1,2,4-triol | CAS Registry Number: 3068-00-6
Synonyms: 2-Deoxyerythritol, 1,3,4-Butanetriol, Triol 124, 1,2,4-BUTANETRIOL, Butane-1,2,4-Triol, 1,2,4-Trihydroxybutane, ()-1,2,4-Butanetriol, 1,2,4-Butantriol [German], 19040_FLUKA, EINECS 221-323-5, NSC 60197, NSC60197, BRN 1733456, FR-0154, NCGC00166053-01, NCGC00166117-01, NCGC00166126-01, LS-46030, 2-01-00-00596 (Beilstein Handbook Reference), 6810-31-7

Molecular Formula: C4H10O3Molecular Weight: 106.120400 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: ARXKVVRQIIOZGF-UHFFFAOYSA-N

• 1-Cinnamyl Piperazine
IUPAC Name: 1-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium | CAS Registry Number: 18903-01-0
Synonyms: ZINC00135473, CID5573258

Molecular Formula: C13H20N2+2Molecular Weight: 204.311300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: WGEIOMTZIIOUMA-QPJJXVBHSA-P

• 2-Amino-5-Bromo Pyridine
IUPAC Name: 5-bromopyridin-2-amine | CAS Registry Number: 1072-97-5
Synonyms: 2-Amino-5-bromopyridine, 5-bromopyridin-2-amine, 5-Bromo-2-pyridylamine, Maybridge1_001149, 5-bromopyridin-2-ylamine, 2-Pyridinamine, 5-bromo-, 122858_ALDRICH, EINECS 214-019-9, NSC26282, SBB003823, TL806353, LS-184905, AJ-333/25022117

Molecular Formula: C5H5BrN2Molecular Weight: 173.010600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WGOLHUGPTDEKCF-UHFFFAOYSA-N

• 2-Isopropyl-4-Methyl-6-Hydroxy Pyrimidine
IUPAC Name: 6-methyl-2-propan-2-yl-1H-pyrimidin-4-one | CAS Registry Number: 2814-20-2
Synonyms: IMHP, Enamine_000328, MET90B_SUPELCO, HSDB 5899, 375144_ALDRICH, CHEBI:38629, EINECS 220-561-7, 6-Pyrimidinol, 2-isopropyl-4-methyl, CID17777, 2-Isopropyl-6-methyl-4-pyrimidinol, 2-isopropyl-6-methylpyrimidin-4-ol, SBB009916, ZINC00136241, 2-Isopropyl-4-methyl-6-hydroxypyrimidine, 2-Isopropyl-6-methyl-1H-pyrimidin-4-one, 2-ISOPROPYL-6-METHYL-4-PYRIMIDONE, 4(1H)-Pyrimidinone, 6-methyl-2-(1-methylethyl)-, 4(3H)-Pyrimidinone, 2-isopropyl-6-methyl-, 2-isopropyl-6-methylpyrimidin-4(1H)-one, 6-methyl-2-(propan-2-yl)pyrimidin-4-ol

Molecular Formula: C8H12N2OMolecular Weight: 152.193680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AJPIUNPJBFBUKK-UHFFFAOYSA-N

• 5-Amino-1,2,3-Thiadiazole
IUPAC Name: thiadiazol-5-amine | CAS Registry Number: 4100-41-8
Synonyms: 1,2,3-Thiadiazol-5-amine, NSC267217, CID77736, EINECS 223-868-4

Molecular Formula: C2H3N3SMolecular Weight: 101.130320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PVGHNTXQMCYYGF-UHFFFAOYSA-N

• 2-Nitro Benzene Sulphonyl Chloride
IUPAC Name: 2-nitrobenzenesulfonyl chloride | CAS Registry Number: 1694-92-4
Synonyms: 2-Nitrobenzenesulfonyl chloride, o-Nitrophenylsulfonyl chloride, o-Nitrobenzenesulfonyl chloride, 2-Nitrobenzenesulfonylchloride, Benzenesulfonyl chloride, 2-nitro-, N11507_ALDRICH, Benzenesulfonyl chloride, o-nitro-, 2-Nitrobenzenesulphonyl chloride, NSC12991, EINECS 216-907-1, NSC 12991, O-NITROBENZENESULPHONYL CHLORIDE, Benzenesulfonyl chloride, o-nitro- (8CI), TL8001322

Molecular Formula: C6H4ClNO4SMolecular Weight: 221.618260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: WPHUUIODWRNJLO-UHFFFAOYSA-N

• 2,6-Difluorobenzamide
IUPAC Name: 2,6-difluorobenzamide | CAS Registry Number: 18063-03-1
Synonyms: Benzamide, 2,6-difluoro-, Ambap1714, 282278_ALDRICH, EINECS 241-972-8, ZINC00152949, CID87439, JRD-0429, LS-26492, TL8001442, InChI=1/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11

Molecular Formula: C7H5F2NOMolecular Weight: 157.117506 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AVRQBXVUUXHRMY-UHFFFAOYSA-N

• 2-Amino-5-Nitrothiazole
IUPAC Name: 5-nitro-1,3-thiazol-2-amine | CAS Registry Number: 121-66-4
Synonyms: Entramin, Enheptin, Enheptin-T, Amnizol soluble, Nitramin IDO, Aminonitrothiazole, Aminzol soluble, Enheptin premix, Enheptin T, Enheptyne, Nitromin ido, Enheptin (VAN), 2-AMINO-5-NITROTHIAZOLE, Aminonitrothiazolum, 2-Thiazolamine, 5-nitro-, Thiazole, 2-amino-5-nitro-, 5-Nitro-2-thiazolylamine, 5-Nitro-2-thiazolamine, 5-Nitro-2-aminothiazole, NSC4

Molecular Formula: C3H3N3O2SMolecular Weight: 145.139820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MIHADVKEHAFNPG-UHFFFAOYSA-N

• 2-Cyano Pyridine
IUPAC Name: pyridine-2-carbonitrile | CAS Registry Number: 100-70-9
Synonyms: Picolinonitrile, 2-Cyanopyridine, 2-Pyridyl nitrile, 2-PYRIDINECARBONITRILE, Picolinic acid nitrile, Pyridine-2-carbonitrile, Pyridinecarbonitrile, Picolinonitrile (8CI), C94602_ALDRICH, 2-Pyridinecarboxylic acid, nitrile, CHEBI:27837, HSDB 5338, NSC59697, EINECS 202-880-3, NSC 59697, SBB008920, ZINC00404339, TL8007316, C02221, InChI=1/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4

Molecular Formula: C6H4N2Molecular Weight: 104.109360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FFNVQNRYTPFDDP-UHFFFAOYSA-N

• 2-Thiouracil
IUPAC Name: 2-sulfanylidene-1H-pyrimidin-4-one | CAS Registry Number: 141-90-2
Synonyms: 2-thiouracil, Antagothyroid, Thiouracil, Antagothyroil, Deracil, Nobilen, 6-Thiouracil, Uracil, 2-thio-, Tiouracyl [Polish], 2-Mercapto-4-pyrimidone, 2-Thiouracil (VAN), 2-Mercapto-4-pyrimidinol, 2-Thio-4-oxypyrimidine, 2-Thio-6-oxypyrimidine, 4-Hydroxy-2-pyrimidinethiol, 4-Hydroxy-2-mercaptopyrimidine, Ambap4491, Spectrum_001652, 4-Pyrimidinol, 2-mercapto-, SpecPlus_000746

Molecular Formula: C4H4N2OSMolecular Weight: 128.152360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: ZEMGGZBWXRYJHK-UHFFFAOYSA-N

• 3-Cyanopyridine
IUPAC Name: pyridine-3-carbonitrile | CAS Registry Number: 100-54-9
Synonyms: Nicotinonitrile, 3-cyanopyridine, 3-Pyridinenitrile, 3-PYRIDINECARBONITRILE, 3-Azabenzonitrile, Nicotinic acid nitrile, 3-Pyridylcarbonitrile, 3-Cyjanopirydyna [Polish], C94807_ALDRICH, HSDB 5335, 3-Pyridinecarboxylic acid, nitrile, Nitryl kwasu nikotynowego [Polish], EINECS 202-863-0, NSC 17558, AIDS020411, AIDS-020411, NSC17558, BRN 0107711, SBB007554, ZINC00331637

Molecular Formula: C6H4N2Molecular Weight: 104.109360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GZPHSAQLYPIAIN-UHFFFAOYSA-N

• 3-Methylbutanol
IUPAC Name: 3-methylbutan-1-ol | CAS Registry Number: 123-51-3
Synonyms: Isoamyl alcohol, Isopentyl alcohol, Isopentanol, Isoamylol, Isobutylcarbinol, 3-Methylbutan-1-ol, Isobutyl carbinol, Fusel Oil, Iso-amylalkohol, Fuseloel, Iso-amyl alcohol, 1-Butanol, 3-methyl-, 2-Methyl-4-butanol, Isopentylalkohol, Amylowy alkohol, Isoamyl alkohol, Alcool amilico, Alcool isoamylique, ISOAMYLALCOHOL, Huile de fusel

Molecular Formula: C5H12OMolecular Weight: 88.148180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: PHTQWCKDNZKARW-UHFFFAOYSA-N

• 4-Aminopyridine
IUPAC Name: pyridin-4-amine | CAS Registry Number: 504-24-5
Synonyms: 4-aminopyridine, 4-Pyridinamine, Fampridine, Avitrol, 4-Pyridylamine, p-Aminopyridine, Fampridine-SR, Neurelan, Pymadine, pyridin-4-amine, Pyridine, 4-amino-, Amino-4 pyridine, gamma-Aminopyridine, Aminopyridine, Ampydin, Pymadin, 4 Aminopyridine, Avitrol 200, Fampridine SR, Pimadin (free base)

Molecular Formula: C5H6N2Molecular Weight: 94.114540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NUKYPUAOHBNCPY-UHFFFAOYSA-N

• 4-Aminoanisole
IUPAC Name: 4-methoxyaniline | CAS Registry Number: 104-94-9
Synonyms: p-Anisidine, 4-Methoxyaniline, p-Aminoanisole, p-Anisylamine, p-Methoxyaniline, 4-Anisidine, p-Dianisidine, p-Methoxyphenylamine, Benzenamine, 4-methoxy-, Anisole, p-amino-, 4-Methoxybenzenamine, 4-Methoxybenzeneamine, Aniline, p-methoxy-, Aniline, 4-methoxy-, 1-Amino-4-methoxybenzene, 4-Methoxy-1-aminobenzene, 4-METHYOXYANILINE, 4-METHOXY-ANILINE, CCRIS 917, WLN: ZR DO1

Molecular Formula: C7H9NOMolecular Weight: 123.152460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BHAAPTBBJKJZER-UHFFFAOYSA-N

• 4-Bromophenol
IUPAC Name: 4-bromophenol | CAS Registry Number: 106-41-2
Synonyms: p-Bromophenol, 4-BROMOPHENOL, Phenol, 4-bromo-, Phenol, p-bromo-, p-Bromophenic acid, p-Bromohydroxybenzene, CCRIS 632, B75808_ALDRICH, 442405_SUPELCO, NSC 4970, EINECS 203-394-4, NSC4970, AIDS017751, AIDS-017751, ZINC00404316, AI3-14903, TL806339, LS-104088, ST5214520, C14453

Molecular Formula: C6H5BrOMolecular Weight: 173.007300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GZFGOTFRPZRKDS-UHFFFAOYSA-N

• 4-Chlorobenzophenone
IUPAC Name: (4-chlorophenyl)-phenylmethanone | CAS Registry Number: 134-85-0
Synonyms: p-Chlorobenzophenone, Benzophenone, 4-chloro-, p-CBP, 4-CHLOROBENZOPHENONE, para-Chlorobenzophenone, Methanone, (4-chlorophenyl)phenyl-, C25007_ALDRICH, HSDB 2740, Benzophenone, 4-chloro- (8CI), NSC2872, (4-Chlorophenyl)(phenyl)methanone, NSC 2872, EINECS 205-160-7, ZINC01594470, AI3-00705, ST5308103, TL8000816

Molecular Formula: C13H9ClOMolecular Weight: 216.662960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: UGVRJVHOJNYEHR-UHFFFAOYSA-N

• 4-Ethylbenzoic Acid
IUPAC Name: 4-ethylbenzoic acid | CAS Registry Number: 619-64-7
Synonyms: 4-ETHYLBENZOIC ACID, p-Ethylbenzoic acid, Maybridge1_002160, MLS000849800, 191280_ALDRICH, NSC59888, EINECS 210-605-3, NSC 59888, SMR000455818, TL806445, ST5208633

Molecular Formula: C9H10O2Molecular Weight: 150.174500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZQVKTHRQIXSMGY-UHFFFAOYSA-N

• 8-Hydroxyquinoline
IUPAC Name: quinolin-8-ol | CAS Registry Number: 148-24-3
Synonyms: Oxyquinoline, 8-quinolinol, Oxine, 8-HYDROXYQUINOLINE, Phenopyridine, Oxychinolin, Quinophenol, Bioquin, Tumex, Oxybenzopyridine, Oxin, quinolin-8-ol, 8-Oxyquinoline, 8-Quinol, 8-Hydroxychinolin, Fennosan, Albisal, Hydroxybenzopyridine, Fennosan H 30, Hydroxychinolin

Molecular Formula: C9H7NOMolecular Weight: 145.157980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MCJGNVYPOGVAJF-UHFFFAOYSA-N

• 5-Chloro-2-fluorobenzonitrile
IUPAC Name: 5-chloro-2-fluorobenzonitrile | CAS Registry Number: 57381-34-7
Synonyms: Ambap5451, 548693_ALDRICH, ZINC00404104, CID93653, JRD-1142, EINECS 260-710-3

Molecular Formula: C7H3ClFNMolecular Weight: 155.556823 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GJNJDELEHIGPKJ-UHFFFAOYSA-N

• 1,3-Dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazole-2-one
IUPAC Name: 3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazol-2-one | CAS Registry Number: 2147-83-3
Synonyms: MLS000737175, MLS001359872, NSC88883, CID75070, EINECS 218-415-2, SBB003398, SMR000528403, 1,3-Dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one

Molecular Formula: C12H13N3OMolecular Weight: 215.251120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YFEOSTXFQCDCAR-UHFFFAOYSA-N

• 2-(4-Methylphenyl)-Benzothiazole
IUPAC Name: 2-(4-methylphenyl)-1,3-benzothiazole | CAS Registry Number: 16112-21-3
Synonyms: 2-(4-Methylphenyl)-benzothiazole, 2-(4-methylphenyl)-1,3-benzothiazole, ZINC00506835, 2-p-Tolyl-benzothiazole, Enamine_000331, AC1LJ9GH, SureCN1105447, 2-(p-tolyl)benzo[d]thiazole, CHEMBL67930, 2-(4-methylphenyl)benzothiazole, CTK4D0743, MolPort-000-700-910, BB_SC-0305, HMS1394P01, Benzothiazole,2-(4-methylphenyl)-, BBL023081, STK300107, AKOS000299904, 2-(4-METHYLPHENYL)BENZTHIAZOLE, AG-E-10786

Molecular Formula: C14H11NSMolecular Weight: 225.308840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JVPGYYNQTPWXGE-UHFFFAOYSA-N

• 2-(Allyloxy)phenol
IUPAC Name: 2-prop-2-enoxyphenol | CAS Registry Number: 1126-20-1
Synonyms: o-(Allyloxy)phenol, EINECS 214-418-8, CID70772, BBV-2086524

Molecular Formula: C9H10O2Molecular Weight: 150.174500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FNEJKCGACRPXBT-UHFFFAOYSA-N

• 7-Chloro-5-Methyl-1,2,4-Triazole[1,5-A]Pyrimidine
IUPAC Name: 7-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine | CAS Registry Number: 24415-66-5
Synonyms: MolPort-002-029-207, ZINC00390840, CID520127, STK387226, 4-Chloro-6-methyl-1,3,3a,7-tetrazaindene, 7-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine

Molecular Formula: C6H5ClN4Molecular Weight: 168.583700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: NOIPEBKPGPZXNR-UHFFFAOYSA-N

• 1,2,4 Triazole
IUPAC Name: 1H-1,2,4-triazole | CAS Registry Number: 288-88-0
Synonyms: s-Triazole, 1H-1,2,4-Triazole, 1,2,4-TRIAZOLE, 4H-1,2,4-triazole, 1H-1.2.4-Triazole, MET1075A_SUPELCO, T46108_ALDRICH, 4H-1,2,4-Triazole (VAN), C2H3N3, CHEBI:35550, CHEBI:46077, EINECS 206-022-9, NSC 83128, AIDS023082, AIDS-023082, NSC83128, ZINC04897205, AI3-51031, DB03594, LS-155746

Molecular Formula: C2H3N3Molecular Weight: 69.065320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NSPMIYGKQJPBQR-UHFFFAOYSA-N

• 2,4-Dichloro-3,5-Dinitrobenzotrifluoride
IUPAC Name: 2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)benzene | CAS Registry Number: 29091-09-6
Synonyms: ZINC02168652, CID94398, EINECS 249-420-8, 2,4-Dichloro-1,3-dinitro-5-(trifluoromethyl)benzene, Benzene, 2,4-dichloro-1,3-dinitro-5-(trifluoromethyl)-

Molecular Formula: C7HCl2F3N2O4Molecular Weight: 304.995050 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: DPQYRXNRGNLPFC-UHFFFAOYSA-N

• 3-Picoline-N-Oxide
IUPAC Name: 3-methyl-1-oxidopyridin-1-ium | CAS Registry Number: 1003-73-2
Synonyms: 3-Picoline N-oxide, 3-Picoline 1-oxide, 3-Methylpyridine 1-oxide, beta-Picoline N-oxide, beta-Picoline 1-oxide, .beta.-Picoline N-oxide, 3-Methylpyridine N-oxide, 3-Picoline, 1-oxide, Pyridine, 3-methyl-, 1-oxide, 3-Methylpyridine-N-oxide, 3-Methylpyridine-1-oxide, .beta.-Picoline 1-oxide, P42401_ALDRICH, 3-Picoline, 1-oxide (8CI), 3-METHYL-N-OXIDEPYRIDINE, EINECS 213-714-4, NSC 18254, NSC18254, ZINC00331883, AI3-60113

Molecular Formula: C6H7NOMolecular Weight: 109.125880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DMGGLIWGZFZLIY-UHFFFAOYSA-N

• 4-Aminobenzylalcohol
IUPAC Name: (4-aminophenyl)methanol | CAS Registry Number: 623-04-1
Synonyms: 4-Aminobenzyl alcohol, Ambap528, (4-Aminophenyl)methanol, 4-(Hydroxymethyl)aniline, Benzyl alcohol, p-amino-, Benzenemethanol, 4-amino-, 191558_ALDRICH, 07095_FLUKA, EINECS 210-767-5, ZINC04271989, TL8004099

Molecular Formula: C7H9NOMolecular Weight: 123.152460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: AXKGIPZJYUNAIW-UHFFFAOYSA-N

• 2-Bromopentane
IUPAC Name: 2-bromopentane | CAS Registry Number: 107-81-3
Synonyms: Pentane, 2-bromo-, 2-BROMOPENTANE, 2-Pentyl bromide, ()-2-Bromopentane, ()-2-Pentyl bromide, B75204_ALDRICH, NSC7896, NSC 7896, EINECS 203-521-3, CID7890, UN2343, WLN: EY3 & 1, BRN 1718829, LS-101547, 2-Bromopentane [UN2343] [Flammable liquid], 2-Bromopentane [UN2343] [Flammable liquid], 4-01-00-00312 (Beilstein Handbook Reference), 130321-66-3

Molecular Formula: C5H11BrMolecular Weight: 151.044840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: LGAJYTCRJPCZRJ-UHFFFAOYSA-N

• (R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl [(R)-BINAP]
IUPAC Name: [1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane | CAS Registry Number: 76189-55-4
Synonyms: (R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl, 98327-87-8, 2,2'-BIS(DIPHENYLPHOSPHINO)-1,1'-BINAPHTHYL, (R)-(+)-BINAP, (S)-(-)-BINAP, 76189-56-5, (+/-)-BINAP, rac-BINAP, BINAP, (S)-(-)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl, (+/-)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl, (S)-BINAP, (R)-2,2'-bis(Diphenylphosphino)-1,1'-binaphthyl, (S)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl, (S)-(-)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthalene, (S)-(-)-2,2'-Bis(diphenylphosphosino)-1,1'-binaphthyl, 2,2'-Bis(diphenylphosphino)-1,1'-binaphthalene, 2,2'-Bis-diphenylphosphanyl-[1,1']binaphthalenyl, (+/-)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthalene, (R)-(+)-2,2'-Bis(diphenylphosphino)-1'1-binaphthyl

Molecular Formula: C44H32P2Molecular Weight: 622.672404 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: MUALRAIOVNYAIW-UHFFFAOYSA-N


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