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• 2-Cyanopiperidine
IUPAC Name: piperidine-2-carbonitrile | CAS Registry Number: 42457-10-3
Synonyms: 2-cyanopiperidine, Piperidine-2-carbonitrile, Pipecolonitrile, 2-piperidinecarbonitrile, (S)-2-CYANOPIPERIDINE, 2-Cyano-piperidinehydrochloride, pipecolinonitrile, PubChem23031, AC1L4DP0, AGN-PC-00MLC8, SureCN4824916, PIPERIDINE CARBONITRILE, (2S)-piperidine-2-carbonitrile, MolPort-003-983-323, (+/-)-2-CYANOPIPERIDINE, ANW-75173, SBB066879, AKOS001297611, AB13841, AK-39015

Molecular Formula: C6H10N2Molecular Weight: 110.157000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YAVXLTMRALFZIS-UHFFFAOYSA-N

• 2-Methyl-4-Methoxy-Diphenylamine (ANMT)
IUPAC Name: 4-methoxy-2-methyl-N-phenylaniline | CAS Registry Number: 41317-15-1
Synonyms: CBMicro_015444, Oprea1_800706, MLS000061199, 4-Methoxy-N-phenyl-o-toluidine, 4-Methoxy-2-Methyl Diphenylamine, 4-methoxy-2-methyl-N-phenylaniline, EINECS 255-310-0, ZINC00236039, (4-methoxy-2-methylphenyl)phenylamine, Benzenamine, 4-methoxy-2-methyl-N-phenyl-, SMR000069267, BIM-0015468.P001, TL8006524

Molecular Formula: C14H15NOMolecular Weight: 213.275000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CYMPUOGZUXAIMY-UHFFFAOYSA-N

• 3-Hydroxymethylquinuclidine
IUPAC Name: 1-azabicyclo[2.2.2]octan-3-ylmethanol | CAS Registry Number: 5176-22-7
Synonyms: 3-HYDROXYMETHYLQUINUCLIDINE, SBB014319, quinuclidin-3-ylmethan-1-ol, ACMC-20lcal, 1-Azabicyclo[2.2.2]octane-3-methanol, (S)-, Quinuclidin-3-ylmethanol, SureCN415807, CTK4J4786, MolPort-002-747-005, 88644-21-7, STK661567, AKOS005528851, 1-azabicyclo[2.2.2]oct-3-ylmethanol, AG-F-75504, AK146175, ST097948, KB-183016, FT-0615849, 1-Azabicyclo[2.2.2]oct-3-ylmethanol hydrochloride

Molecular Formula: C8H15NOMolecular Weight: 141.210800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GUAWHSHTXVVCLZ-UHFFFAOYSA-N

• 1-Benzylpiperidine-4-Carboxylic Acid
IUPAC Name: 1-benzylpiperidine-4-carboxylic acid | CAS Registry Number: 10315-07-8
Synonyms: 1-benzylpiperidine-4-carboxylic acid, 1-Benzyl-Isonipecotic Acid, 1-Benzylpiperidine-4-CarboxylicAcid, SBB053307, 1-Benzyl-piperidine-4-carboxylic acid, AC1NFWEX, BZL-INP-OH, AC1Q74NX, AC1Q74NY, SureCN1519223, BZL-ISONIPECOTIC ACID, CTK0H4273, N-BENZYL-ISONIPECOTIC ACID, MolPort-000-002-424, ACN-S002917, 1-BENZYL-4-CARBOXYPIPERIDINE, ANW-59886, STK354950, AKOS000125168, AB14004

Molecular Formula: C13H17NO2Molecular Weight: 219.279580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZMVSVQMWFTZSJQ-UHFFFAOYSA-N

• 3-Trifluoromethyl Benzyl Bromide
IUPAC Name: 1-(bromomethyl)-3-(trifluoromethyl)benzene | CAS Registry Number: 402-23-3
Synonyms: m-Trifluoromethylbenzyl bromide, 3-Trifluoromethylbenzyl bromide, 3-Trifluoromethylbenzylbromide, 3-(Trifluoromethyl)benzyl bromide, 290556_ALDRICH, JRD-0053, EINECS 206-938-9, CID123061, SBB006697, 1-(Bromomethyl)-3-(trifluoromethyl)benzene, TL8002857, alpha'-Bromo-alpha,alpha,alpha-trifluoro-m-xylene

Molecular Formula: C8H6BrF3Molecular Weight: 239.032450 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MYYYZNVAUZVXBO-UHFFFAOYSA-N

• 4,4'-Dithiodimorpholine (Morpholinedisulfide (CSN): Morpholine, 4,4'-Dithiobis-)
IUPAC Name: 4-morpholin-4-yldisulfanylmorpholine | CAS Registry Number: 103-34-4
Synonyms: Sulfasan, Sulfasan R, Vulnoc, Dithiobismorpholine, Accel R, Deovulc M, Morpholine disulfide, Morpholino disulfide, Sanfel R, Morpholinodisulfide, Vanax A, Dimorpholine disulfide, Dimorpholino disulfide, Bismorpholino disulfide, N,N-Dithiodimorpholine, 4,4'-DITHIODIMORPHOLINE, 4,4'-Dithiomorpholine, Disulfide, dimorpholino-, Usaf ek-t-6645, Morpholine, 4,4'-dithiobis-

Molecular Formula: C8H16N2O2S2Molecular Weight: 236.354840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: HLBZWYXLQJQBKU-UHFFFAOYSA-N

• 2,6-Dihydroxybenzoic acid
IUPAC Name: 2,6-dihydroxybenzoic acid | CAS Registry Number: 303-07-1
Synonyms: gamma-Resorcylic acid, 2-Carboxyresorcinol, 2,6-Resorcylic acid, 6-Hydroxysalicylic acid, .gamma.-Resorcylic acid, Benzoic acid, 2,6-dihydroxy-, 2,6-DIHYDROXYBENZOIC ACID, gamma-Resorcylic acid (8CI), D109606_ALDRICH, EINECS 206-134-8, NSC 49172, BB_SC-2393, NSC49172, BRN 2209755, LS-37058, TL806248, 4-10-00-01456 (Beilstein Handbook Reference), BENZOIC ACID,2,6-DIHYDROXY MFC7 H6 O4, InChI=1/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11, GRE

Molecular Formula: C7H6O4Molecular Weight: 154.120140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: AKEUNCKRJATALU-UHFFFAOYSA-N

• 1-(4-Methoxyphenyl)-4-(4-Nitrophenyl)Piperazine
IUPAC Name: 1-(4-methoxyphenyl)-4-(4-nitrophenyl)piperazine | CAS Registry Number: 74852-61-2
Synonyms: 1-(4-methoxyphenyl)-4-(4-nitrophenyl)piperazine, AG-G-97871, 1-(4-methoxyphonyl)-4-(4-nitrophenyl)piperazine, AG-205/13056226, ZINC04117395, AC1NO9RB, SureCN2550023, Oprea1_198905, PIP024, CTK2H6913, MolPort-002-706-245, STK761016, AKOS001131144, MCULE-5739559005, AC-10977, AK-40861, AB1008558, KB-147406, TL8005141, FT-0641542

Molecular Formula: C17H19N3O3Molecular Weight: 313.351060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: AVCKOFMRPAJEPN-UHFFFAOYSA-N

• 3,3'-(4-Methyl-1,3-Phenylene)Bis(1,1-Dimethylurea)
IUPAC Name: 3-[5-(dimethylcarbamoylamino)-2-methylphenyl]-1,1-dimethylurea | CAS Registry Number: 17526-94-2
Synonyms: NSC375994, CID87146, EINECS 241-523-6, NSC 375994, N,N''-(4-Methyl-m-phenylene)bis(N',N'-dimethylurea), Urea, N,N''-(4-methyl-1,3-phenylene)bis(N',N'-dimethyl-, 38775-63-2

Molecular Formula: C13H20N4O2Molecular Weight: 264.323500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: KDQTUCKOAOGTLT-UHFFFAOYSA-N

• 4-Chlorobenzhydrylchloride
IUPAC Name: 1-chloro-4-[chloro(phenyl)methyl]benzene | CAS Registry Number: 134-83-8
Synonyms: 4-Chlorobenzhydryl chloride, p-Chlorobenzhydryl chloride, 103314_ALDRICH, Methane, chloro(p-chlorophenyl)phenyl-, Chloro(p-chlorophenyl)phenylmethane, Chloro(4-chlorophenyl)phenylmethane, NSC49126, Benzene, 1-chloro-4-(chlorophenylmethyl)-

Molecular Formula: C13H10Cl2Molecular Weight: 237.124500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ALKWTKGPKKAZMN-UHFFFAOYSA-N

• 3-Amino-4-Methoxybenzamide
IUPAC Name: 3-amino-4-methoxybenzamide | CAS Registry Number: 17481-27-5
Synonyms: 3-Amino-p-anisamide, 3-Amino-4-methoxybenzamide, Oprea1_735966, MLS000105652, Benzamide, 3-amino-4-methoxy-, EINECS 241-497-6, ZINC00296138, SDCCGMLS-0006111.P002, SMR000102630, ST5406925

Molecular Formula: C8H10N2O2Molecular Weight: 166.177200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: INCJNDAQNPWMPZ-UHFFFAOYSA-N

• (R)-(+)-4-Methyl-1,3-dioxolan-2-one
IUPAC Name: (4R)-4-methyl-1,3-dioxolan-2-one | CAS Registry Number: 16606-55-6
Synonyms: (R)-(+)-Propylene carbonate, (R)-4-Methyl-1,3-dioxolan-2-one, (R)-PropyleneCarbonate, (R)-1,2-PROPYLENE CARBONATE, (R)-1,2-Propanediol cyclic carbonate, (4R)-4-methyl-1,3-dioxolan-2-one, PubChem6059, (R)-Propylene Carbonate, AC1LD3MQ, SureCN748245, KSC493I9J, 540013_ALDRICH, Jsp003338, CTK3J3494, MolPort-001-758-105, ANW-22184, ZINC02041090, (R)-(+)-1,2-Propylene Carbonate, AKOS015840866, AKOS015900872

Molecular Formula: C4H6O3Molecular Weight: 102.088640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RUOJZAUFBMNUDX-GSVOUGTGSA-N

• 4-Amino-3-methylpyridine
IUPAC Name: 3-methylpyridin-4-amine | CAS Registry Number: 1990-90-5
Synonyms: Phillips 1908, 4-Amino-3-picoline, Philips 1908, 3-Picoline, 4-amino-, 3-Methyl-4-pyridinamine, 3-Methylpyridin-4-amine, 3-Methyl-4-aminopyridine, 4-Pyridinamine, 3-methyl-, 3-methyl-4-pyridinylamine, WLN: T6NJ C1 DZ, TPC-PY103, EINECS 217-872-5, NSC 52454, NSC52454, 4-Pyridinamine, 3-methyl- (9CI), BRN 0107957, STK206059, LS-109609, TL8001645, 5-22-09-00286 (Beilstein Handbook Reference)

Molecular Formula: C6H8N2Molecular Weight: 108.141120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VGJLGPCXUGIXRQ-UHFFFAOYSA-N

• 5,6-Dimethyl Benzimidazole
IUPAC Name: 5,6-dimethyl-1H-benzimidazole | CAS Registry Number: 582-60-5
Synonyms: Dimedazole, Dimedazol, Dimesol, Dimezol, 5,6-Dimethylbenzimidazole, dimethylbenzimidazole, Dimezol base, nchembio.67-comp7, Benzimidazole, 5,6-dimethyl-, 5,6-Dimethyl-1H-benzimidazole, 1H-Benzimidazole, 5,6-dimethyl-, D147206_ALDRICH, ARONIS001284, 39580_FLUKA, CHEBI:15890, EINECS 209-488-1, NSC 68316, NSC68316, BRN 0116595, SBB004105

Molecular Formula: C9H10N2Molecular Weight: 146.189100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LJUQGASMPRMWIW-UHFFFAOYSA-N

• 1,3,5-Trifluoro Benzene
IUPAC Name: 1,3,5-trifluorobenzene | CAS Registry Number: 372-38-3
Synonyms: sym-Trifluorobenzene, 1,3,5-TRIFLUOROBENZENE, Benzene, 1,3,5-trifluoro-, 1,3,5-Trifluoro-benzene, 196851_ALDRICH, CID9745, 1,3,5-TRIFLUORO BENZENE, JRD-0247, NSC10264, EINECS 206-751-2, ZINC00164868, SB 01896, TL8002744, 3S210982

Molecular Formula: C6H3F3Molecular Weight: 132.083230 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: JXUKFFRPLNTYIV-UHFFFAOYSA-N

• 1-(3-Chloropropyl)-4-(2-Methoxyphenyl) Piperazine Hydrochloride
IUPAC Name: 1-(3-chloropropyl)-4-(2-methoxyphenyl)piperazine | CAS Registry Number: 21279-77-6
Synonyms: FS011302, 1-(3-Chloropropyl)-4-(2-methoxyphenyl)piperazine, 1-(3-Chloro-propyl)-4-(2-methoxy-phenyl)-piperazine, Piperazine, 1-(3-chloropropyl)-4-(2-methoxyphenyl)-

Molecular Formula: C14H21ClN2OMolecular Weight: 268.782340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OIZBMQFOSPOOIS-UHFFFAOYSA-N

• 2-Ethylhexanoyl Chloride
IUPAC Name: 2-ethylhexanoyl chloride | CAS Registry Number: 760-67-8
Synonyms: 2-Ethylhexanoyl chloride, Hexanoyl chloride, 2-ethyl-, 2-Ethylcaproyl chloride, 2-Ethylhexanoic acid, chloride, 2-Ethylhexanoic acid chloride, 157406_ALDRICH, EINECS 212-081-1, NSC 87892, NSC87892, NCGC00164068-01, LS-75506, TL8005199

Molecular Formula: C8H15ClOMolecular Weight: 162.657100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WFSGQBNCVASPMW-UHFFFAOYSA-N

• 5-Bromo-2,3-difluorophenol
IUPAC Name: [2-[(8R,9R,10R,11S,13S,14R,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate | CAS Registry Number: 186590-26-1
Synonyms: hydrocortisone acetate

Molecular Formula: C23H32O6Molecular Weight: 404.496580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: ALEXXDVDDISNDU-WUYUHMRZSA-N

• 2-Methyl-4,5,6,7-Tetrahydro-1H-Indol-4-One
IUPAC Name: 2-methyl-1,5,6,7-tetrahydroindol-4-one | CAS Registry Number: 35308-68-0
Synonyms: 1,5,6,7-Tetrahydro-2-methyl-4H-indol-4-one, 2-Methyl-4,5,6,7-tetrahydro-1H-indol-4-one, AG-F-22068, 2-Methyl-4-oxo-4,5,6,7-tetrahydroindole, 2-methyl-6,7-dihydro-1H-indol-4(5H)-one, SureCN1052949, SureCN6753719, ACMC-1AE11, CTK4H4216, HJIYEKHYUGHTAC-UHFFFAOYSA-, MolPort-006-013-041, ANW-28171, ZINC02540011, AKOS000320271, AB21142, AC-13113, AK-28630, KB-173690, 2-methyl-1,5,6,7-tetrahydro-indol-4-one, FT-0649545

Molecular Formula: C9H11NOMolecular Weight: 149.189740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HJIYEKHYUGHTAC-UHFFFAOYSA-N

• 3-Phenyl-p-anisidine
IUPAC Name: 4-methoxy-3-phenylaniline | CAS Registry Number: 56970-26-4
Synonyms: 6-Methoxy[1,1'-biphenyl]-3-amine, ZINC02381410

Molecular Formula: C13H13NOMolecular Weight: 199.248420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OFBRKDXLBOTZNB-UHFFFAOYSA-N

• 4-Methyl Phenyl Acetonitrile
IUPAC Name: 2-(4-methylphenyl)acetonitrile | CAS Registry Number: 2947-61-7
Synonyms: p-Tolylacetonitrile, 4-Methylbenzyl cyanide, p-Methylbenzyl cyanide, alpha-Cyano-p-xylene, 4-Methylphenylacetonitrile, 4-Methylbenzeneacetonitrile, Benzeneacetonitrile, 4-methyl-, (4-methylphenyl)acetonitrile, M31651_ALDRICH, EINECS 220-963-2, ZINC02242671, BBV-052792

Molecular Formula: C9H9NMolecular Weight: 131.174460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RNHKXHKUKJXLAU-UHFFFAOYSA-N

• 4-(Chloromethyl)benzoic acid methyl ester
IUPAC Name: methyl 4-(chloromethyl)benzoate | CAS Registry Number: 34040-64-7
Synonyms: EINECS 251-806-6, ZINC02009882, METHYL 4-(CHLOROMETHYL)BENZOATE, p-Toluic acid, .alpha.-chloro-, methyl ester, Benzoic acid, 4-(chloromethyl)-, methyl ester

Molecular Formula: C9H9ClO2Molecular Weight: 184.619560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SATDLKYRVXFXRE-UHFFFAOYSA-N

• 2-Hydroxy Benzophenone
IUPAC Name: (2-hydroxyphenyl)-phenylmethanone | CAS Registry Number: 117-99-7
Synonyms: o-Benzoylphenol, 2-Hydroxybenzophenone, Benzophenone, 2-hydroxy-, O-HYDROXYBENZOPHENONE, Phenyl 2-Hydroxyphenyl ketone, Methanone, (2-hydroxyphenyl)phenyl-, Oprea1_210355, 103160_ALDRICH, NSC623, NSC 623, Benzophenone, 2-hydroxy- (8CI), (2-hydroxyphenyl)(phenyl)methanone, EINECS 204-226-2, ZINC00388047, ST5331393, InChI=1/C13H10O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,14

Molecular Formula: C13H10O2Molecular Weight: 198.217300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HJIAMFHSAAEUKR-UHFFFAOYSA-N

• 2-Pyrimidinamine, 4-(3-pyridinyl)-
IUPAC Name: 4-pyridin-3-ylpyrimidin-2-amine | CAS Registry Number: 66521-66-2
Synonyms: 4-(pyridin-3-yl)pyrimidin-2-amine, 4-(3-Pyridinyl)-2-aminopyrimidine, 2-Amino-4-(3-pyridinyl)-pyrimidine, 4-(3-Pyridinyl)-2-pyrimidine amine, CHEMBL1236798, 4-(3-Pyridinyl)-2-pyrimidinamine, 4-(3-pyridyl)pyrimidine-2-ylamine, AG-G-51048, 4-(PYRIDIN-3-YL)-2-PYRIMIDINE AMINE, 2xdk, SureCN210431, CTK5C4848, 4-(3-Pyridyl)-2-pyrimidinamine, MolPort-002-344-109, BB_SC-5653, AMX10176, 2-Amino-4-(3-pyridinyl)pyrimidine, 2-Pyrimidinamine,4-(3-pyridinyl)-, ANW-44611, SBB070175

Molecular Formula: C9H8N4Molecular Weight: 172.186620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LQHQKYWYKPLKCH-UHFFFAOYSA-N

• 2,4-Dimethyl-3-Pyridinecarboxylic Acid Hydrochloride
IUPAC Name: 2,4-dimethylpyridine-3-carboxylate | CAS Registry Number: 55314-30-2
Synonyms: ZINC04202615

Molecular Formula: C8H8NO2-Molecular Weight: 150.154620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XSZKVKMGSAAAJZ-UHFFFAOYSA-M

• 2-Aminocyclopentanol
IUPAC Name: 2-aminocyclopentan-1-ol | CAS Registry Number: 89381-13-5
Synonyms: 2-AMINOCYCLOPENTANOL, 2-AMINO CYCLOPENTANOL, Cyclopentanol, 2-amino-, 2-aminocyclopentan-1-ol, 59260-76-3, cis-2-Amino-cyclopentanol, trans-2-Amino-cyclopentanol, 57070-95-8, ACMC-209ykj, SureCN63174, AGN-PC-00BTZG, AC1L3N7C, AC1Q53EX, Cyclopentanol,cis-2-amino-, Cyclopentanol, cis-2-amino-, Cyclopentanol,trans-2-amino-, Cyclopentanol, trans-2-amino-, CTK3E7979, MolPort-005-933-807, ACT02918

Molecular Formula: C5H11NOMolecular Weight: 101.146940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JFFOUICIRBXFRC-UHFFFAOYSA-N

• 3-Amino-4-Methoxy Benzoic Acid
IUPAC Name: 3-amino-4-methoxybenzoic acid | CAS Registry Number: 2840-26-8
Synonyms: 3-Amino-p-anisic acid, 3-Amino-4-methoxybenzoic acid, p-Anisic acid, 3-amino-, 3-Amino-4-anisic acid, 186066_ALDRICH, EINECS 220-634-3, BRN 3243089, BENZOIC ACID, 3-AMINO-4-METHOXY-, Kyselina 3-amino-4-methoxybenzoova [Czech], LS-35934, ST5406694, 2-14-00-00360 (Beilstein Handbook Reference), 2840-76-8, InChI=1/C8H9NO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,9H2,1H3,(H,10,11

Molecular Formula: C8H9NO3Molecular Weight: 167.161960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: FDGAEAYZQQCBRN-UHFFFAOYSA-N

• 2-Amino-5-chlorobenzoic acid
IUPAC Name: 2-amino-5-chlorobenzoic acid | CAS Registry Number: 635-21-2
Synonyms: 5-Chloroanthranilic acid, Anthranilic acid, 5-chloro-, Benzoic acid, 2-amino-5-chloro-, 2-AMINO-5-CHLOROBENZOIC ACID, 5-Chloro-2-aminobenzoic acid, A45475_ALDRICH, 378046_ALDRICH, 07360_FLUKA, AIDS020040, AIDS-020040, EINECS 211-230-8, NSC404157, SBB016392, Anthranilic acid, 5-chloro- (8CI), NSC 404157, AI3-15229, TL8004430, InChI=1/C7H6ClNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11

Molecular Formula: C7H6ClNO2Molecular Weight: 171.581040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IFXKXCLVKQVVDI-UHFFFAOYSA-N

• 2-Amino-4-Chloro-6-NitroPhenol
IUPAC Name: 2-amino-4-chloro-6-nitrophenol | CAS Registry Number: 6358-08-3
Synonyms: 530387_ALDRICH, EINECS 228-761-6, 2-Amino-4-Chloro-6-Nitro Phenol, 2-AMINO-4-CHLORO-6-NITROPHENOL, SBB003676, CID4348294, TL806305

Molecular Formula: C6H5ClN2O3Molecular Weight: 188.568500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: MHAFRUMLQZZSIN-UHFFFAOYSA-N

• 2,5-Dimethyl-3-hydroxybenzoic acid
IUPAC Name: 3-hydroxy-2,5-dimethylbenzoic acid | CAS Registry Number: 27023-06-9
Synonyms: NSC106546, CID267354

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: TUWYDGRWPNEWNJ-UHFFFAOYSA-N

• 2-Cyanotoluene
IUPAC Name: 2-methylbenzonitrile | CAS Registry Number: 529-19-1
Synonyms: o-Tolunitrile, o-Cyanotoluene, o-Toluonitrile, o-Tolylnitrile, o-Toluic nitrile, o-Methylbenzonitrile, Benzonitrile, 2-methyl-, 2-METHYLBENZONITRILE, 1-Methyl-2-cyanobenzene, 2-Methylbenzenecarbonitrile, Benzonitrile, methyl-, Ambap7226, METHYLBENZONITRILE, 2-Toluenkarbonitril [Czech], WLN: NCR B1, CCRIS 1286, 89660_ALDRICH, EINECS 208-451-7, NSC 66549, NSC66549

Molecular Formula: C8H7NMolecular Weight: 117.147880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NWPNXBQSRGKSJB-UHFFFAOYSA-N

• (S)-4-Hydroxy-2-pyrrolidone
IUPAC Name: (4S)-4-hydroxypyrrolidin-2-one | CAS Registry Number: 68108-18-9
Synonyms: 4-hydroxypyrrolidin-2-one, 2-Pyrrolidinone, 4-hydroxy-, 479179_ALDRICH, (S)-beta-Hydroxy-gamma-butyrolactam, 2-Pyrrolidinone, 4-hydroxy-, (4S)-, (S)-(−)-4-Hydroxy-2-pyrrolidinone, InChI=1/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7

Molecular Formula: C4H7NO2Molecular Weight: 101.103880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IOGISYQVOGVIEU-VKHMYHEASA-N

• 3-Hydroxyphenylacetic acid
IUPAC Name: 2-(3-hydroxyphenyl)acetic acid | CAS Registry Number: 621-37-4
Synonyms: 3-Hydroxyphenylacetate, 3pce, 3-Hydroxybenzeneacetic acid, (3-Hydroxyphenyl)acetic acid, (m-Hydroxyphenyl)acetic acid, Metahydroxy phenylacetic acid, Ambap4430, M-HYDROXYPHENYLACETIC ACID, Benzeneacetic acid, 3-hydroxy-, Acetic acid, (m-hydroxyphenyl)-, RESORCINOL MONOACETATE, H49901_ALDRICH, 56130_FLUKA, CHEBI:17445, EINECS 210-684-4, NSC 14360, NSC14360, Benzeneacetic acid, 3-hydroxy- (9CI), Acetic acid, (m-hydroxyphenyl)- (8CI), TL806393

Molecular Formula: C8H8O3Molecular Weight: 152.147320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FVMDYYGIDFPZAX-UHFFFAOYSA-N

• (R)-(+)-alpha, alpha-Diphenyl-2-pyrrolidinemethanol
IUPAC Name: di(phenyl)-[(2R)-pyrrolidin-1-ium-2-yl]methanol | CAS Registry Number: 22348-32-9
Synonyms: ZINC03632771

Molecular Formula: C17H20NO+Molecular Weight: 254.346800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: OGCGXUGBDJGFFY-MRXNPFEDSA-O

• 3,4-Dimethoxyphenethylamine
IUPAC Name: 2-(3,4-dimethoxyphenyl)ethanamine | CAS Registry Number: 120-20-7
Synonyms: Homoveratrylamine, Dimethoxydopamine, Dimethylmescaline, DIMPEA, DMPEA, Dimethoxyphenylethylamine, 3,4-Dimethoxydopamine, Dopamine dimethyl ether, O,O-Dimethyldopamine, DMPE, 3,4-Dimethoxyphenylethylamine, 3,4-Di-O-methyldopamine, Benzeneethanamine, 3,4-dimethoxy-, 3,4-Dimethoxybenzeneethanamine, 2-(3,4-Dimethoxyphenyl)ethylamine, NCIOpen2_005995, Oprea1_397610, PHENETHYLAMINE, 3,4-DIMETHOXY-, MLS000515889, 3,4-Dimethoxyphenylethylamine(base)

Molecular Formula: C10H15NO2Molecular Weight: 181.231600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ANOUKFYBOAKOIR-UHFFFAOYSA-N

• 5-Nitro-1,2,3-benzenetricarboxylic acid
IUPAC Name: 5-nitrobenzene-1,2,3-tricarboxylic acid | CAS Registry Number: 3807-81-6
Synonyms: 1-Nitrobenzene-3,4,5-tricarboxylic acid, 5-Nitro-1,2,3-benzenetricarboxylicacid, 5-nitrobenzene-1,2,3-tricarboxylic acid, 5-nitro-benzene-1,2,3-tricarboxylic acid, SureCN11317378, AGN-PC-001EW8, CTK1C2388, MolPort-002-499-950, ACN-S004358, SBB063476, Hemimelliticacid, 5-nitro- (6CI);, AKOS015889432, AB16337, AG-F-34093, RP29094, AC-12653, AK-23839, Q805, 1,2,3-Benzenetricarboxylicacid, 5-nitro-, KB-198099

Molecular Formula: C9H5NO8Molecular Weight: 255.137900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: KIRNHRJGEAFKPM-UHFFFAOYSA-N

• (2-Chlorophenyl)phenyl-methanone
IUPAC Name: (2-chlorophenyl)-phenylmethanone | CAS Registry Number: 5162-03-8
Synonyms: 2-Chlorobenzophenone, o-Chlorobenzophenone, Benzophenone, 2-chloro-, 2-Chlorobenyl phenyl ketone, Methanone, (2-chlorophenyl)phenyl-, (2-Chlorophenyl)phenylmethanone, NCIOpen2_002858, 194387_ALDRICH, EINECS 225-936-9, NSC 62529, NSC62529, ZINC00155209, AI3-22112, Benzophenone, 2-chloro- (6CI,7CI,8CI), LS-91175, ST5308340, TL8002352, 51330-06-4

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

InChIKey: VMHYWKBKHMYRNF-UHFFFAOYSA-N

• (1,4'-Bipiperidine)-4'-Carboxamide
IUPAC Name: 4-piperidin-1-ylpiperidine-4-carboxamide | CAS Registry Number: 39633-82-4
Synonyms: NSC76044, CID96486, ZERO/006502, EINECS 254-548-2, NSC 76044, (1,4'-Bipiperidine)-4'-carboxamide, EU-0066587

Molecular Formula: C11H21N3OMolecular Weight: 211.303940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AUXZEVXPRCVGAO-UHFFFAOYSA-N

• 1-Chloronaphthalene
IUPAC Name: 1-chloronaphthalene | CAS Registry Number: 90-13-1
Synonyms: 1-CHLORONAPHTHALENE, xilamon, xylamon, Naphthalene, 1-chloro-, alpha-Chloronaphthalene, 1-Naphthyl chloride, alpha-Chlornaphthalene, .alpha.-Chloronaphthalene, alpha-Naphthyl chloride, 1-Chlornaftalen [Czech], .alpha.-Chlornaphthalene, CCRIS 5546, WLN: L66J BG, HSDB 5269, 442259U_SUPELCO, 185752_ALDRICH, NSC 6166, 25320_FLUKA, EINECS 201-967-3, NSC6166

Molecular Formula: C10H7ClMolecular Weight: 162.615580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: JTPNRXUCIXHOKM-UHFFFAOYSA-N

• (2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid
IUPAC Name: (2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid | CAS Registry Number: 80875-98-5
Synonyms: L-Octahydroindole-2-carboxylic acid, (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid, (2S,3AS,7AS)-2-Carboxyoctahydroindole, (2S,3aS,7aS)-Octahydroindole-2-carboxylic acid, (2S,3aS,7aS)-2-Carboxyperhydroindole, (2S,3AS,7AS)-PERHYDROINDOLE-2-CARBOXYLIC ACID, (2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid, hydroindole, L-Octahydroindole-2-carboxylicacid, Octahydro-indole-2-carboxylic acid, AC1OLREW, PubChem15646, H-OIC-OH, L-OIC-OH, AC1Q71AB, SureCN1414979, KSC448A4B, UNII-9ID44U804I, (2S,3aS,7aS)-2-carboxyocta, CTK3E8040

Molecular Formula: C9H15NO2Molecular Weight: 169.220900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CQYBNXGHMBNGCG-FXQIFTODSA-N

• 2,3,3-Trimethyl-4-5-benzo-3H-indole
IUPAC Name: 1,1,2-trimethylbenzo[e]indole | CAS Registry Number: 41532-84-7
Synonyms: MLS001018037, 1,1,2-Trimethylbenz[e]indole, 03024_FLUKA, ZINC01042104, EINECS 255-429-8, 1,1,2-Trimethyl-1H-benz(e)indole, 1,1-2-Trimethyl-1H-benz(e)indole, CID170530, 1H-Benz(e)indole, 1,1,2-trimethyl-, SMR000354277, ST5135389, EU-0010594, T-6620, SR-01000389684-2

Molecular Formula: C15H15NMolecular Weight: 209.286300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WJZSZXCWMATYFX-UHFFFAOYSA-N

• 2-(4'-Chlorophenoxy)aniline
IUPAC Name: 2-(4-chlorophenoxy)aniline | CAS Registry Number: 2770-11-8
Synonyms: 2-(4-Chlorophenoxy)aniline, EINECS 220-461-3, CID76010

Molecular Formula: C12H10ClNOMolecular Weight: 219.666900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QKKBREBZMUFUDS-UHFFFAOYSA-N

• 2-Bromopyridine
IUPAC Name: 2-bromopyridine | CAS Registry Number: 109-04-6
Synonyms: 2-BROMOPYRIDINE, o-Bromopyridine, Pyridine, 2-bromo-, 2-Pyridyl bromide, beta-Bromopyridine, alpha-Bromopyridine, .alpha.-Bromopyridine, .beta.-Bromopyridine, PYRIDINE,2-BROMO, WLN: T6NJ BE, B80100_ALDRICH, NSC 8031, CHEBI:51574, EINECS 203-641-6, NSC8031, AIDS020378, AIDS-020378, BRN 0105789, SBB003999, ZINC00158586

Molecular Formula: C5H4BrNMolecular Weight: 157.995960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IMRWILPUOVGIMU-UHFFFAOYSA-N

• 2,2'-Anhydro-5-Methyluridine
Synonyms: 2,2'-Anhydro-athy, AIDS231709, AIDS-231709, 2,2'-Anhydro-1-beta-arabinofuranosylthymine, 2,2'-Anhydro-11-beta-D-arabinofuranosylthymine, 6H-Furo(2',3':4,5)oxazolo(3,2-a)pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, (2R-(2alpha,3beta,3abeta,9abeta))-, 6H-Furo[2',3':4,5]oxazolo[3,2-a]pyrimidin-6-one, 2,3,3a,9a-tetrahydro-3-hydroxy-2-(hydroxymethyl)-7-methyl-, (2R,3R,3aS,9aR)-

Molecular Formula: C10H12N2O5Molecular Weight: 240.212680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: WLLOAUCNUMYOQI-JAGXHNFQSA-N

• 2,3-difluorobenzoic acid
IUPAC Name: 2,3-difluorobenzoic acid | CAS Registry Number: 4519-39-5
Synonyms: 2,3-Difluorobenzoic acid, 263516_ALDRICH, JRD-0284, CID370590, SBB006679, TL8003133

Molecular Formula: C7H4F2O2Molecular Weight: 158.102266 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JLZVIWSFUPLSOR-UHFFFAOYSA-N

• 1-(2-Methoxyphenyl)piperazine
IUPAC Name: 1-(2-methoxyphenyl)piperazine | CAS Registry Number: 35386-24-4
Synonyms: Spectrum_000433, SpecPlus_000789, Lopac-S-008, Spectrum2_001818, Spectrum3_001032, Spectrum4_001166, Spectrum5_001749, 1-(o-Methoxyphenyl)piperazine, Lopac0_001122, Oprea1_660972, Oprea1_668117, 1-(2-Methoxyphenyl)-piperazine, BSPBio_002843, KBioGR_001771, KBioSS_000913, M22601_ALDRICH, DivK1c_006885, SPBio_001835, 65225_FLUKA, KBio1_001829

Molecular Formula: C11H16N2OMolecular Weight: 192.257540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: VNZLQLYBRIOLFZ-UHFFFAOYSA-N

• 2-Chlorobenzonitrile
IUPAC Name: 2-chlorobenzonitrile | CAS Registry Number: 873-32-5
Synonyms: o-Chlorocyanobenzene, o-Cyanochlorobenzene, Benzonitrile, o-chloro-, Benzonitrile, 2-chloro-, Chlorobenzonitrile, o-Chlorbenzonitril, O-CHLOROBENZONITRILE, Benzonitrile, chloro-, o-Chlorbenzonitril [Czech], WLN: NCR BG, MET2015A_SUPELCO, C24795_ALDRICH, Nitril kyseliny o-chlorbenzoove, NSC 8438, 23638_FLUKA, EINECS 212-836-5, NSC8438, Nitril kyseliny o-chlorbenzoove [Czech], ZINC00157274, LS-38653

Molecular Formula: C7H4ClNMolecular Weight: 137.566360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NHWQMJMIYICNBP-UHFFFAOYSA-N

• 2-Chloro Methyl-3,5-dimethyl-4-methoxy Pyridine Hydrochloride
IUPAC Name: 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine;hydrochloride | CAS Registry Number: 86604-75-3
Synonyms: 2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine Hydrochloride, 2-CHLOROMETHYL-3,5-DIMETHYL-4-METHOXYPYRIDINE HYDROCHLORIDE, 2-Chloromethyl-4-methoxy-3,5-dimethylpyridine hydrochloride, 2-Chloromethyl-4-methoxy-3,5-dimethylpyridinehydrochloride, 2-Chloromethyl-3,5-dimethyl-4 methoxypyridine hydrochloride, PubChem2236, PubChem20754, ACMC-209qam, AC1Q3BYM, SureCN311423, AGN-PC-00EA0Q, KSC491E6H, 535508_ALDRICH, CTK3J1263, MolPort-001-800-895, ACT01332, AB2770, ANW-38348, AKOS005258306, AC-1882

Molecular Formula: C9H13Cl2NOMolecular Weight: 222.111620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LCJDHJOUOJSJGS-UHFFFAOYSA-N

• 2-Phenyl-4-nitro-anisole
IUPAC Name: 1-methoxy-4-nitro-2-phenylbenzene | CAS Registry Number: 15854-75-8
Synonyms: 2-phenyl-4-nitroanisol, 1-methoxy-4-nitro-2-phenylbenzene, 2-Phenyl-4-nitro-anisol, 2-Methoxy-5-nitro-1,1'-biphenyl, 2-Methoxy-5-nitro-biphenyl, SureCN10933113, AC1O50M3, CTK4C9730, 2-METHOXY-5-NITROBIPHENYL, 1-methoxy-4-nitro-2-phenyl-benzene, SBB063894, ZINC02513834, 1,1'-Biphenyl,2-methoxy-5-nitro-, AKOS015889762, AB16539, AG-E-07692, AC-12226, AK-33491, KB-25906, FT-0637284

Molecular Formula: C13H11NO3Molecular Weight: 229.231340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DFVBQSMLKLCRCB-UHFFFAOYSA-N

• 1,2-Naphthoquinone
IUPAC Name: naphthalene-1,2-dione | CAS Registry Number: 524-42-5
Synonyms: o-Naphthoquinone, 1,2-Naphthalenedione, 1,2-NAPHTHOQUINONE, beta-Naphthoquinone, 1,2-Naphthaquinone, .beta.-Naphthoquinone, ortho-naphthoquinone, 1,2-Naftochinon [Czech], CCRIS 1558, WLN: L66 BVVJ, HSDB 2036, MLS000069467, 346616_ALDRICH, 1,2-Dione-Based Compound, 8, NSC 9831, EINECS 208-360-2, C10H6O2, NSC9831, 1,2-Dihydro-1,2-diketo-naphthalene, AIDS017889

Molecular Formula: C10H6O2Molecular Weight: 158.153440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KETQAJRQOHHATG-UHFFFAOYSA-N


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