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• 1,2,4-Triazole-3-Carboxylic Acid Methyl Ester
IUPAC Name: methyl 1H-1,2,4-triazole-5-carboxylate | CAS Registry Number: 4928-88-5
Synonyms: 530352_ALDRICH, ZINC02508242, CID2735089, TL806219, Methyl-1H-1,2,4-triazole-3-carboxylate, ST5331320, 1,2,4-Triazole-3-Carboxylic Acid Methylester

Molecular Formula: C4H5N3O2Molecular Weight: 127.101400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: QMPFMODFBNEYJH-UHFFFAOYSA-N

• 3-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
IUPAC Name: 3-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one | CAS Registry Number: 86499-35-6
Synonyms: 3-amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one, 3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one, 3-Amino-1,3,4,5-tetrahydro-benzo[b]azepin-2-one, 3-amino-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one, 3-Amino-2,3,4,5-Tetrahydro-1H-1-benzazepin-2-one, AG-H-48945, 3-Amino-2-Oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine, ACMC-20mwet, PubChem16166, AC1NAXV3, SureCN1270022, 2H-1-Benzazepin-2-one,3-amino-1,3,4,5-tetrahydro-, (3R)-, STOCK7S-10370, CTK5F6863, MolPort-000-000-286, ANW-45348, BBL011254, STK938312, WTI-10315, AKOS005208090

Molecular Formula: C10H12N2OMolecular Weight: 176.215080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: AUAKXRGQXZRTQC-UHFFFAOYSA-N

• 4-Methyl Phenyl Acetic Acid
IUPAC Name: 2-(4-methylphenyl)acetic acid | CAS Registry Number: 622-47-9
Synonyms: p-Tolylacetic acid, 4-Methylphenylacetic acid, Maybridge1_005217, (4-methylphenyl)aceticacid, (4-Methylphenyl)acetic acid, NCIOpen2_000147, T38105_ALDRICH, Benzeneacetic acid, 4-methyl-, ghl.PD_Mitscher_leg0.1068, NSC65595, CID248474, MB 00106, TL8004076, M-4290, AC-509/25002068, SR-01000634138-1

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

InChIKey: GXXXUZIRGXYDFP-UHFFFAOYSA-N

• 3,4-Dichlorophenylacetonitrile
IUPAC Name: 2-(3,4-dichlorophenyl)acetonitrile | CAS Registry Number: 3218-49-3
Synonyms: 3,4-Dichlorobenzyl cyanide, 232475_ALDRICH, 35530_FLUKA, (3,4-Dichlorophenyl)acetonitrile, Benzeneacetonitrile, 3,4-dichloro-, EINECS 221-743-9, NSC111725, ZINC00164770, FS000811, AI3-12074, ST5406497, TL8002447, InChI=1/C8H5Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H

Molecular Formula: C8H5Cl2NMolecular Weight: 186.038000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QWZNCAFWRZZJMA-UHFFFAOYSA-N

• 1-Aminoindan
IUPAC Name: 2,3-dihydro-1H-inden-1-amine | CAS Registry Number: 34698-41-4
Synonyms: 1-Aminoindane, 1-Indanamine, Indan-1-ylamine, NCIOpen2_000245, A59506_ALDRICH, NSC62540, EINECS 252-158-7, SBB004212, 1H-Inden-1-amine, 2,3-dihydro-, (+-)-, 1H-Inden-1-amine, 2,3-dihydro-, (.+/-.)-, 61949-83-5, InChI=1/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H

Molecular Formula: C9H11NMolecular Weight: 133.190340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: XJEVHMGJSYVQBQ-UHFFFAOYSA-N

• 1-(Trifluoromethyl)Vinyl Acetate
IUPAC Name: 3,3,3-trifluoroprop-1-en-2-yl acetate | CAS Registry Number: 2247-91-8
Synonyms: Trifluoroacetone enol acetate, Trifluoroacetone enolacetate, 1-(Trifluoromethyl)vinyl acetate, alpha-Trifluoromethylvinyl acetate, CID75254, EINECS 218-838-2, ZINC01841348, 1-Propen-2-ol, 3,3,3-trifluoro-, acetate, 1-Propen-2-ol, 3,3,3-trifluoro-, 2-acetate, InChI=1/C5H5F3O2/c1-3(5(6,7)8)10-4(2)9/h1H2,2H

Molecular Formula: C5H5F3O2Molecular Weight: 154.087210 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: VOKGSDIHTCTXDS-UHFFFAOYSA-N

• (S)-4-Hydroxymethyl butyrolactone
IUPAC Name: 5-(hydroxymethyl)oxolan-2-one | CAS Registry Number: 32780-06-6
Synonyms: (S)-(+)-2',3'-Dideoxyribonolactone, 5-Hydroxymethyldihydrofuran-2-one, NSC128380, 5-(Hydroxymethyl)dihydro-2(3H)-furanone, NSC 128380, 2(3H)-Furanone, dihydro-5-(hydroxymethyl)-, 10374-51-3

Molecular Formula: C5H8O3Molecular Weight: 116.115220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NSISJFFVIMQBRN-UHFFFAOYSA-N

• 4-Chlororesorcinol
IUPAC Name: 4-chlorobenzene-1,3-diol | CAS Registry Number: 95-88-5
Synonyms: p-Chlororesorcinol, 4-Chlororesorcin, Resorcinol, 4-chloro-, 6-Chlororesorcinol, 1,3-Benzenediol, 4-chloro-, 4-Chloro-1,3-benzenediol, 2,4-Dihydroxychlorobenzene, 4-Chloro-1,3-dihydroxybenzene, WLN: QR CQ DG, C70606_ALDRICH, 1,3-Dihydroxy-4-chlorobenzene, NSC 1569, EINECS 202-462-0, NSC1569, NSC6298, AIDS017781, AIDS-017781, BRN 2042864, ZINC00404336, C.I. 76510

Molecular Formula: C6H5ClO2Molecular Weight: 144.555700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JQVAPEJNIZULEK-UHFFFAOYSA-N

• 4-Cyanobenzylbromide
IUPAC Name: 4-(bromomethyl)benzonitrile | CAS Registry Number: 17201-43-3
Synonyms: 4-Cyanobenzyl bromide, p-Cyanobenzyl bromide, alpha-Bromo-p-tolunitrile, 4-(Bromomethyl)benzonitrile, .alpha.-Bromo-p-tolunitrile, p-(Bromomethyl)benzonitrile, alpha-Bromo-p-toluonitrile, NCIOpen2_001738, p-Tolunitrile, alpha-bromo-, Benzonitrile, p-(bromomethyl)-, Benzonitrile, 4-(bromomethyl)-, p-Toluonitrile, alpha-bromo-, 144061_ALDRICH, p-Tolunitrile, .alpha.-bromo-, p-Toluonitrile, .alpha.-bromo-, NSC95792, EINECS 241-246-0, NSC 95792, ZINC01621442, ST5214109

Molecular Formula: C8H6BrNMolecular Weight: 196.043940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: UMLFTCYAQPPZER-UHFFFAOYSA-N

• 2-Ethyl piperazine
IUPAC Name: 2-ethylpiperazine | CAS Registry Number: 13961-37-0
Synonyms: 2-Ethylpiperazine, Piperazine, 2-ethyl-, SureCN294661, AGN-PC-000DWB, CTK0H4131, MolPort-000-003-682, ANW-75097, RW2926, AKOS005255355, AB13949, AG-D-79790, AM81358, QC-2011, RP00604, AK-64252, KB-23784, FT-0083984, FT-0648133, FT-0652075, ST51053811

Molecular Formula: C6H14N2Molecular Weight: 114.188760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DXOHZOPKNFZZAD-UHFFFAOYSA-N

• 3-Chlorobenzonitrile
IUPAC Name: 3-chlorobenzonitrile | CAS Registry Number: 766-84-7
Synonyms: m-Chlorobenzonitrile, m-Cyanochlorobenzene, Benzonitrile, 3-chloro-, BENZONITRILE, m-CHLORO-, C24809_ALDRICH, EINECS 212-172-6, Benzonitrile, 3-chloro- (9CI), NSC 59733, NSC59733, ZINC00404318, LS-38652, TL8005257, T5237200, InChI=1/C7H4ClN/c8-7-3-1-2-6(4-7)5-9/h1-4

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

InChIKey: WBUOVKBZJOIOAE-UHFFFAOYSA-N

• 6-Chloro-4-Nitro-2-aminophenol
IUPAC Name: 2-amino-6-chloro-4-nitrophenol | CAS Registry Number: 6358-09-4
Synonyms: 6-Chloro-4-nitro-2-aminophenol, ZERO/005154, EINECS 228-762-1, Phenol, 2-amino-6-chloro-4-nitro-, 2-AMINO-6-CHLORO-4-NITROPHENOL, CID4679699, LS-103884, 62625-14-3

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

InChIKey: TWLMSPNQBKSXOP-UHFFFAOYSA-N

• 4-Amino-1,2,4-Triazole
IUPAC Name: 1,2,4-triazol-4-amine | CAS Registry Number: 584-13-4
Synonyms: 4-Amino-1,2,4-triazole, 4H-1,2,4-Triazol-4-amine, 1-Amino-1,3,4-triazole, 4-Amino-4H-1,2,4-triazole, 1-Amino-1H-1,3,4-triazole, 4-Amino-1,2,4(4H)-triazole, A81803_ALDRICH, 4H-1,2,4-Triazol-4-ylamine, 4H-1,2,4-TRIAZOLE, 4-AMINO-, NSC 3263, NSC 7242, 09550_FLUKA, EINECS 209-533-5, NSC3263, NSC7242, AIDS074825, AIDS-074825, BRN 0107563, SBB004399, ZINC04692512

Molecular Formula: C2H4N4Molecular Weight: 84.079960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: FMCUPJKTGNBGEC-UHFFFAOYSA-N

• 2-Piperidone
IUPAC Name: piperidin-2-one | CAS Registry Number: 675-20-7
Synonyms: 2-Piperidinone, Valerolactim, 5-Pentanolactam, alpha-Piperidone, Piperidon, Piperidinone, Piperidone, d-Valerolactam, DELTA-VALEROLACTAM, .alpha.-Piperidone, piperidin-2-one, Piperidon [German], PIPERIDONE,2-, .delta.-Valerolactam, PIPERDINONE, Piperidone-2 [French], WLN: T6NVTJ, Pentanoic acid, 5-amino-, lactam, V209_ALDRICH, NSC 2305

Molecular Formula: C5H9NOMolecular Weight: 99.131060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: XUWHAWMETYGRKB-UHFFFAOYSA-N

• 1-Naphthaldehyde
IUPAC Name: naphthalene-1-carbaldehyde | CAS Registry Number: 66-77-3
Synonyms: alpha-Naphthal, 1-Formylnaphthalene, 1-Naphthylaldehyde, Naphthaldehyde, alpha-Naphthaldehyde, I-Napthaldehyde, .alpha.-Naphthal, alpha-Naphthylaldehyde, 1-NAPHTHALENECARBOXALDEHYDE, .alpha.-Naphthaldehyde, alpha-Naphthylcarboxaldehyde, .alpha.-Naphthylaldehyde, N109_ALDRICH, .alpha.-Naphthylcarboxaldehyde, 1-NAPHTHALDEHYDE, REAG, NAPHTHALENECARBOXALDEHYDE, NSC 6106, 70180_FLUKA, EINECS 200-633-4, NSC6106

Molecular Formula: C11H8OMolecular Weight: 156.180620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SQAINHDHICKHLX-UHFFFAOYSA-N

• 4-Fluorophenylacetic Acid
IUPAC Name: 2-(4-fluorophenyl)acetic acid | CAS Registry Number: 405-50-5
Synonyms: p-Fluorophenylacetic acid, (4-Fluorophenyl)acetic acid, Benzeneacetic acid, 4-fluoro-, 4-FLUOROPHENYLACETIC ACID, (p-Fluorophenyl)acetic acid, Maybridge1_006666, Acetic acid, (p-fluorophenyl)-, F13304_ALDRICH, 2-(4-Fluorophenyl)acetic acid, NSC402, Ba 2821, 47350_FLUKA, NSC 402, BB_SC-4533, EINECS 206-972-4, Acetic acid, (p-fluorophenyl)- (8CI), F222, TL806324, AI3-52627

Molecular Formula: C8H7FO2Molecular Weight: 154.138383 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MGKPFALCNDRSQD-UHFFFAOYSA-N

• 3-Methylbenzophenone
IUPAC Name: (3-methylphenyl)-phenylmethanone | CAS Registry Number: 643-65-2
Synonyms: 3-Methyl-benzophenone, Benzophenone, 3-methyl-, 198056_ALDRICH, Methanone, (3-methylphenyl)phenyl-, ZINC01845874, CID69511, EINECS 211-401-7, TL8004555

Molecular Formula: C14H12OMolecular Weight: 196.244480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: URBLVRAVOIVZFJ-UHFFFAOYSA-N

• 2-Methylbenzhydrylchloride
IUPAC Name: 1-[chloro(phenyl)methyl]-2-methylbenzene | CAS Registry Number: 41870-52-4
Synonyms: 2-METHYLBENZHYDRYL CHLORIDE, 2-Methyl benzhydryl chloride, 1-[chloro(phenyl)methyl]-2-methylbenzene, SBB070797, AG-E-08223, 1(-Chlorophenyl-methyl)-2-mehtylbenzene, 1-(Chloro(phenyl)methyl)-2-methylbenzene, AC1Q2EMY, ACMC-1AN31, SureCN10799696, 2-(alpha-Chlorobenzyl)toluene, CTK8B1668, MolPort-002-470-572, Chloro(2-methylphenyl)phenylmethane, ANW-29693, AKOS001261297, 2-(chlorophenylmethyl)-1-methylbenzene, AG-F-48787, MCULE-4606041590, AC-14475

Molecular Formula: C14H13ClMolecular Weight: 216.706020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: VTZTUKIBJQCCMO-UHFFFAOYSA-N

• 1,2,4-Triazole-1-Aceticacid Hcl
IUPAC Name: 2-(1,2,4-triazol-1-yl)acetic acid | CAS Registry Number: 28711-29-7
Synonyms: 1,2,4-Triazole-1-acetic acid, [1,2,4]Triazol-1-yl-acetic acid, 1H-1,2,4-triazol-1-ylacetic acid, BAS 01185338, CID1810180, EC-000.1972, T0518-5880

Molecular Formula: C4H5N3O2Molecular Weight: 127.101400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RXDBSQXFIWBJSR-UHFFFAOYSA-N

• (S)-1,2,4-butanetriol
IUPAC Name: (2S)-butane-1,2,4-triol | CAS Registry Number: 42890-76-6
Synonyms: (S)-(-)-1,2,4-Butanetriol, (S)-Butane-1,2,4-triol, (2S)-butane-1,2,4-triol, (S)-1,2,4-Butanetriol, (S)-(-)-1,2,4-Trihydroxybutane, AC1LD1XW, 296678_ALDRICH, 19045_FLUKA, CTK8B4481, MolPort-000-861-457, (S)--(+)-1,2,4-Butanetriol, ANW-45240, OR5242, ZINC03860246, AKOS015901225, (2S)-(-)-1,2,4-Trihydroxybutane, AC-13895, AK-88488, KB-63577, U620

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

InChIKey: ARXKVVRQIIOZGF-BYPYZUCNSA-N

• 2-Amino-5-chlorobenzophenone
IUPAC Name: (2-amino-5-chlorophenyl)-phenylmethanone | CAS Registry Number: 719-59-5
Synonyms: 2-Benzoyl-4-chloroaniline, 2-Amino-5-chlorbenzophenone, 5-Chloro-2-aminobenzophenone, 2-Amino-5-chlorobenzylphenone, Benzophenone, 2-amino-5-chloro-, 4-Chloro-2-benzoylaniline, Oprea1_343888, A45564_ALDRICH, MLS000682800, 07401_FLUKA, EINECS 211-949-7, NSC 84157, METHANONE, (2-AMINO-5-CHLOROPHENYL)PHENYL-, (2-amino-5-chlorophenyl)(phenyl)methanone, NSC84157, (2-Amino-5-chlorophenyl)phenylmethanone, BRN 0475640, SBB003271, ZINC00155592, 2-AMINO,5-CHLORO-BENZOPHENONE

Molecular Formula: C13H10ClNOMolecular Weight: 231.677600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZUWXHHBROGLWNH-UHFFFAOYSA-N

• (S)-(+)-2-Methylpiperazine
IUPAC Name: (2S)-2-methylpiperazine | CAS Registry Number: 74879-18-8
Synonyms: (S)-2-Methylpiperazine, (2S)-2-methylpiperazine, S-MP, (S)-2-Methyl-Piperazine, AG-G-98021, PIPERAZINE, 2-METHYL-, (2S)-, s-2-methylpiperazine, PubChem9701, PubChem15035, 2-(s)-methylpiperazine, (S)-3-Methylpiperazine, AC1MC0MO, (-)-2-Methylpiperazine, SureCN16558, UNII-C5VI3S1YC0, s-(+)-2-methylpiperazine, AC1Q29PO, 2-Methylpiperazine, (S)-, S-(-)-2-Methylpiperazine, s-(+)-2-methyl piperazine

Molecular Formula: C5H12N2Molecular Weight: 100.162180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JOMNTHCQHJPVAZ-YFKPBYRVSA-N

• (1S)-(-)-Camphanic chloride
IUPAC Name: (1R,4S)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carbonyl chloride | CAS Registry Number: 39637-74-6
Synonyms: Camphanoylchloride, Camphanoyl chloride, Ambap5166, 226173_ALDRICH, 21287_FLUKA, (−)-Camphanoyl chloride, EINECS 254-552-4, ZINC02508200, 3-Oxa-2-oxobornane-4-carbonyl chloride, (1S)-(−)-Camphanic chloride, (1S)-3-Oxo-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptane-1-carbonyl chloride, 2-Oxabicyclo(2.2.1)heptane-1-carbonyl chloride, 4,7,7-trimethyl-3-oxo-, (1S)-

Molecular Formula: C10H13ClO3Molecular Weight: 216.661420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PAXWODJTHKJQDZ-VHSXEESVSA-N

• 3 Amino-4 Methylbenzamide
IUPAC Name: 3-amino-4-methylbenzamide | CAS Registry Number: 19406-86-1
Synonyms: 3-Amino-p-toluamide, 3-Amino-4-methylbenzamide, Benzamide, 3-amino-4-methyl-, Oprea1_394467, EINECS 243-039-0, ZINC00404098, BBV-007772

Molecular Formula: C8H10N2OMolecular Weight: 150.177800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: VYBKAZXQKUFAHG-UHFFFAOYSA-N

• 2',4'-Difluoroacetophenone
IUPAC Name: 1-(2,4-difluorophenyl)ethanone | CAS Registry Number: 364-83-0
Synonyms: Acetophenone, 2',4'-difluoro-, 264253_ALDRICH, Ethanone, 1-(2,4-difluorophenyl)-, 36863_FLUKA, ZINC00157303, CID67770, EINECS 206-667-6, 1-(2,4-Difluorophenyl)ethan-1-one, TL806298, T5792202

Molecular Formula: C8H6F2OMolecular Weight: 156.129446 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: QEWHNJPLPZOEKU-UHFFFAOYSA-N

• 5-Bromoveratraldehyde
IUPAC Name: 3-bromo-4,5-dimethoxybenzaldehyde | CAS Registry Number: 6948-30-7
Synonyms: 3-Bromo-4,5-dimethoxybenzaldehyde, 130613_ALDRICH, NSC55757, ALBB-001375, CID81379, EINECS 230-113-2, SBB012453, ZINC00056431, Benzaldehyde, 3-bromo-4,5-dimethoxy-, InChI=1/C9H9BrO3/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-5H,1-2H

Molecular Formula: C9H9BrO3Molecular Weight: 245.069960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ICVODPFGWCUVJC-UHFFFAOYSA-N

• 2-Chloro-4-NitroBenzoic Acid
IUPAC Name: 2-chloro-4-nitrobenzoic acid | CAS Registry Number: 99-60-5
Synonyms: 2-CHLORO-4-NITROBENZOIC ACID, WLN: WNR CG DVQ, Benzoic acid, 2-chloro-4-nitro-, NSC150, C59602_ALDRICH, NSC 150, 25410_FLUKA, EINECS 202-771-0, AIDS019397, Kyselina 2-chloro-4-nitrobenzoova, AIDS-019397, BRN 1912836, SBB000403, AI3-33426, Kyselina 2-chloro-4-nitrobenzoova [Czech], LS-36571, TL80073611, 4-09-00-01229 (Beilstein Handbook Reference), InChI=1/C7H4ClNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11

Molecular Formula: C7H4ClNO4Molecular Weight: 201.563960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QAYNSPOKTRVZRC-UHFFFAOYSA-N

• 2-Chloro-6-Fluoro Aniline
IUPAC Name: 2-chloro-6-fluoroaniline | CAS Registry Number: 363-51-9
Synonyms: 2-Chloro-6-fluoroaniline, ZINC02389922, EINECS 206-657-1, SBB004109, CID2734205

Molecular Formula: C6H5ClFNMolecular Weight: 145.562003 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZJLAWMDJTMMTQB-UHFFFAOYSA-N

• 5-Fluoroorotic acid
IUPAC Name: 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid | CAS Registry Number: 703-95-7
Synonyms: 5-Fluoroorotate, Fluoroorotic acid, Orotic acid, 5-fluoro-, 5-Fluoroorotic acid (VAN), 5-Fluoroorotic acid hydrate, WLN: T6VMVMJ EVQ FF, MLS000737636, 5-Fluorouracil-4-carboxylic acid, ENT-26398, NSC 31712, Ro 2-9945, EINECS 211-876-0, Orotic acid, 5-fluoro- (VAN), NSC31712, WR 152520, AI3-26398, Orotic acid, 5-fluoro- (VAN) (8CI), SMR000393806, LS-134889, ST5405211

Molecular Formula: C5H3FN2O4Molecular Weight: 174.086723 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: SEHFUALWMUWDKS-UHFFFAOYSA-N

• 5-methoxy-3-indazole-carboxylic Acid
IUPAC Name: 5-methoxy-1H-indazole-3-carboxylic acid | CAS Registry Number: 90417-53-1
Synonyms: 5-methoxy-1H-indazole-3-carboxylic Acid, 5-Methoxy-3-indazolecarboxylic acid, 5-Methoxy-3-indozole-carboxylic acid, 5-Methoxy-1H-indazole-3-carboxylicacid, PubChem7818, SureCN929332, ACMC-209r65, CTK3I6552, MolPort-000-004-724, ANW-39483, BBL021762, SBB067556, STK894479, WTI-10352, AKOS005144132, AB16516, AG-H-70868, MCULE-8094635282, RP03837, AC-12209

Molecular Formula: C9H8N2O3Molecular Weight: 192.171420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: RSERHJPLECECPR-UHFFFAOYSA-N

• 2,4-Dichlorobenzaldehyde
IUPAC Name: 2,4-dichlorobenzaldehyde | CAS Registry Number: 874-42-0
Synonyms: 2,4-DICHLOROBENZALDEHYDE, Benzaldehyde, 2,4-dichloro-, CCRIS 6013, 146757_ALDRICH, NSC 8762, 35250_FLUKA, EINECS 212-861-1, NSC8762, ZINC00478344, AI3-16063, LS-1876, NCGC00091704-01, ST5213382, AH-034/32850055, InChI=1/C7H4Cl2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4

Molecular Formula: C7H4Cl2OMolecular Weight: 175.012060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YSFBEAASFUWWHU-UHFFFAOYSA-N

• 2-(4-Nitrophenoxy) Ethanol
IUPAC Name: 2-(4-nitrophenoxy)ethanol | CAS Registry Number: 16365-27-8
Synonyms: p-Nitrophenoxyethanol, 2-(p-Nitrophenoxy)ethanol, 2-(4-Nitrophenoxy)ethanol, (4-Nitrophenyl)glycol, Ethanol, 2-(p-nitrophenoxy)-, Oprea1_450408, Ethanol, 2-(4-nitrophenoxy)-, 73595_FLUKA, beta-Hydroxyethyl p-nitrophenyl ether, O-(4-Nitrophenyl)ethylene glycol, CID85381, NSC30512, NSC47172, EINECS 240-422-4, NSC 30512, SBB008154, ZINC01661138, FR-0967, .beta.-Hydroxyethyl p-nitrophenyl ether, AI3-19441

Molecular Formula: C8H9NO4Molecular Weight: 183.161360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: YAPAEYFBLRVUMH-UHFFFAOYSA-N

• 4,4' Diiodobiphenyl
IUPAC Name: 1-iodo-4-(4-iodophenyl)benzene | CAS Registry Number: 3001-15-8
Synonyms: 4,4'-Diiodobiphenyl, 4,4'-Diiododiphenyl, 1,1'-Biphenyl, 4,4'-diiodo-, D122408_ALDRICH, 4,4'-Diiodo-1,1'-biphenyl, EINECS 221-080-5, CID76348, 4,4'-DIIODODOPHENYL, PRACT, ST001385, TL8002327

Molecular Formula: C12H8I2Molecular Weight: 406.000860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: GPYDMVZCPRONLW-UHFFFAOYSA-N

• 1,3-Bis(chloromethyl)benzene
IUPAC Name: 1,3-bis(chloromethyl)benzene | CAS Registry Number: 626-16-4
Synonyms: m-Dichloroxylene, m-Xylylene dichloride, m-Bis(chloromethyl)benzene, alpha,alpha'-Dichloro-m-xylene, Benzene, 1,3-bis(chloromethyl)-, CCRIS 1774, 36580_ALDRICH, m-Xylene, alpha,alpha'-dichloro-, NSC96971, EINECS 210-932-1, m-Xylene, .alpha.,.alpha.'-dichloro-, NSC 96971, CID12275, BRN 2079898, .alpha.,.alpha.'-Dichloro-m-xylene, BBR-008962, LS-162599, TL8004209, 4-05-00-00944 (Beilstein Handbook Reference)

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

InChIKey: GRJWOKACBGZOKT-UHFFFAOYSA-N

• 4-Amino-N-Methylphthalimide
IUPAC Name: 5-amino-2-methylisoindole-1,3-dione | CAS Registry Number: 2307-00-8
Synonyms: 4-Amino-N-methylphthalimide, Oprea1_420392, 247715_ALDRICH, ZINC00135566, CID726931, A3979/0169480, SR-01000644050-1

Molecular Formula: C9H8N2O2Molecular Weight: 176.172020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KMEBUNSLFRQSEM-UHFFFAOYSA-N

• 2-Methyl benzyl Cyanide
IUPAC Name: 2-(2-methylphenyl)acetonitrile | CAS Registry Number: 22364-68-7
Synonyms: o-Tolylacetonitrile, Tolylacetonitrile, o-Xylyl cyanide, 2-Methylbenzyl cyanide, o-Methylbenzylcyanide, o-Methylbenzyl cyanide, o-Methylphenylacetonitrile, 2-Methylbezeneacetonitrile, 2-Methylphenylacetonitrile, 2-Methylbenzeneacetonitrile, ACETONITRILE, o-TOLYL-, (2-methylphenyl)acetonitrile, Benzeneacetonitrile, 2-methyl-, WLN: NC1R B1, CHEBI:27982, EINECS 244-937-5, NSC 75859, NSC75859, BRN 0907182, ZINC00901404

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

InChIKey: WMGVPDQNPUQRND-UHFFFAOYSA-N

• 3,4-Dichlorobenzyl Chloride
IUPAC Name: 1,2-dichloro-4-(chloromethyl)benzene | CAS Registry Number: 102-47-6
Synonyms: 3,4-Dichlorobenzyl chloride, alpha,3,4-Trichlorotoluene, Toluene, .alpha.,3,4-trichloro-, .alpha.,3,4-Trichlorotoluene, 259179_ALDRICH, 35510_FLUKA, Benzene, 1,2-dichloro-4-(chloromethyl)-, 3,4-Dichlorophenylmethyl chloride, EINECS 203-033-0, NSC406893, NSC 406893, Toluene, alpha,3,4-trichloro- (8CI), 1,2-DICHLORO-4-(CHLOROMETHYL)BENZENE, AI3-14887, ST5214094, TL8000123, InChI=1/C7H5Cl3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H

Molecular Formula: C7H5Cl3Molecular Weight: 195.473600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: YZIFVWOCPGPNHB-UHFFFAOYSA-N

• 1,2-Diphenylethylenediamine
IUPAC Name: 1,2-di(phenyl)ethane-1,2-diamine | CAS Registry Number: 16635-95-3
Synonyms: Oprea1_080851, ghl.PD_Mitscher_leg0.530, meso-1,2-Diphenylethylenediamine, 1,2-Diphenyl-1,2-ethanediamine, 458511_ALDRICH, 1,2-Ethanediamine, 1,2-diphenyl-, 1,2-Diamino-1,2-diphenylethane, NSC167211, NSC167312, NSC180201, 1,2-Ethanediamine, 1,2-diphenyl-, (R*,S*)-, 5700-60-7, 951-87-1

Molecular Formula: C14H16N2Molecular Weight: 212.290240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PONXTPCRRASWKW-UHFFFAOYSA-N

• (R)-(-)-Propanediol
IUPAC Name: (2R)-propane-1,2-diol | CAS Registry Number: 4254-14-2
Synonyms: (R)-Propylene glycol, D-1,2-propanediol, (R)-1,2-Propanediol, R-1,2-PROPANEDIOL, (R)-Propane-1,2-diol, 2,3-PROPANDIOL, (2R)-propane-1,2-diol, 540242_ALDRICH, 82284_FLUKA, CHEBI:28972, CID1030, CPD-8891, NSC90793, ZINC00895318, (R)-(−)-Propylene glycol, (R)-(−)-Propylene glycerol, (R)-(−)-1,2-Propanediol, TL8003024, C02912, PGR

Molecular Formula: C3H8O2Molecular Weight: 76.094420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DNIAPMSPPWPWGF-GSVOUGTGSA-N

• (S)-1,2-epoxy-4-bromobutane
IUPAC Name: (2S)-2-(2-bromoethyl)oxirane | CAS Registry Number: 61847-07-2
Synonyms: (S)-(-)-(2-Bromoethyl)oxirane, (S)-(-)-4-Bromo-1,2-epoxybutane, SCHEMBL910412, 16995_FLUKA, CTK5B3828, (2S)-2-(2-Bromoethyl)oxirane, ZKODPGZNBMIZFX-BYPYZUCNSA-N, AKOS006237130, Oxirane,2-(2-bromoethyl)-, (2S)-, CJ-12083, DB-073019, I14-17059

Molecular Formula: C4H7BrOMolecular Weight: 151.001780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZKODPGZNBMIZFX-BYPYZUCNSA-N

• 3,4'-Dichloropropiophenone
IUPAC Name: 3-chloro-1-(4-chlorophenyl)propan-1-one | CAS Registry Number: 3946-29-0
Synonyms: 141593_ALDRICH, NSC36074, EINECS 223-537-4, ZINC01668582, ST5308534, 1-Propanone, 3-chloro-1-(4-chlorophenyl)-

Molecular Formula: C9H8Cl2OMolecular Weight: 203.065220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AYFJBHFMQODYBC-UHFFFAOYSA-N

• 3-Methyl-1,2,4-Triazole-5-Thione
IUPAC Name: 5-methyl-1,2-dihydro-1,2,4-triazole-3-thione | CAS Registry Number: 7271-44-5
Synonyms: 5-Mdtt, NCIOpen2_003814, NSC202519, 5-Methyl-1,2,4-triazole-3-thiol, NSC166651, NSC508416, STK346849, ALB-H11716249, CID1538728, 5-methyl-4H-1,2,4-triazole-3-thiol, 1H-1,2,4-Triazole, 3-thiol-5-methyl-, EN300-25558, 3H-1,2,4-Triazole-3-thione, 1,2-dihydro-5-methyl-, T5630464, 5-Methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, InChI=1/C3H5N3S/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7

Molecular Formula: C3H5N3SMolecular Weight: 115.156900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: OUZCWDMJTKYHCA-UHFFFAOYSA-N

• 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine
IUPAC Name: 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine | CAS Registry Number: 39577-43-0
Synonyms: NSC520934, EINECS 254-529-9, CID101444, ST5307311

Molecular Formula: C13H18Cl2N2Molecular Weight: 273.201420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NDQKGEFMUGSRNS-UHFFFAOYSA-N

• 2,6-diethylphenol
IUPAC Name: 2,6-diethylphenol | CAS Registry Number: 1006-59-3
Synonyms: 2,6-Diethylphenol, Phenol, 2,6-diethyl-, EINECS 213-744-8, ALBB-008787, BRN 2207162, SL-00510, LS-104352, 4-06-00-03351 (Beilstein Handbook Reference)

Molecular Formula: C10H14OMolecular Weight: 150.217560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: METWAQRCMRWDAW-UHFFFAOYSA-N

• 1,3,5-Trimethoxybenzene
IUPAC Name: 1,3,5-trimethoxybenzene | CAS Registry Number: 621-23-8
Synonyms: sym-Trimethoxybenzene, Phloroglucinol trimethyl ether, Benzene, 1,3,5-trimethoxy-, 1,3,5-Trimethyoxybenzene, Spectrum_001404, Spectrum2_000426, Spectrum3_001030, Spectrum4_001163, Spectrum5_001766, NCIOpen2_001419, BSPBio_002819, KBioGR_001765, KBioSS_001884, SPECTRUM231043, SPBio_000412, 138827_ALDRICH, O,O,O-1,3,5-Trimethylresorcinol, EINECS 210-673-4, KBio2_001884, KBio2_004452

Molecular Formula: C9H12O3Molecular Weight: 168.189780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LKUDPHPHKOZXCD-UHFFFAOYSA-N

• 4-[2-(Dimethylamino) ethoxy] benzylamine
IUPAC Name: 2-[4-(aminomethyl)phenoxy]-N,N-dimethylethanamine | CAS Registry Number: 20059-73-8
Synonyms: CID88349, NSC37857, EINECS 243-491-9, p-(2-(Dimethylamino)ethoxy)benzylamine, CC 51513

Molecular Formula: C11H18N2OMolecular Weight: 194.273420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: OBHPRQNPNGQGCK-UHFFFAOYSA-N

• 2-Aminothiophenol
IUPAC Name: 2-aminobenzenethiol | CAS Registry Number: 137-07-5
Synonyms: o-Mercaptoaniline, 2-Mercaptoaniline, o-Aminothiophenol, 2-Mercaptaniline, o-Aminobenzenethiol, Benzenethiol, 2-amino-, 2-AMINOBENZENETHIOL, Benzenethiol, o-amino-, 2-Amino thiophenol, 1-Amino-2-mercaptobenzene, o-Aminophenyl mercaptan, 2-Aminophenyl mercaptan, USAF EK-4376, WLN: ZR BSH, 123137_ALDRICH, 274240_ALDRICH, CCRIS 9096, NSC 4738, EINECS 205-277-3, CID8713

Molecular Formula: C6H7NSMolecular Weight: 125.191480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VRVRGVPWCUEOGV-UHFFFAOYSA-N

• 1-Chloromethyl Naphthalene
IUPAC Name: 1-(chloromethyl)naphthalene | CAS Registry Number: 86-52-2
Synonyms: 1-Menaphthyl chloride, 1-Naphthylmethyl chloride, Naphthalene, 1-(chloromethyl)-, 1-Chloromethyl naphthalene, Naphthalene, 1-chloromethyl-, (Chloromethyl)naphthalene, 1-Chloromethylnaphthalene, 1-(CHLOROMETHYL)NAPHTHALENE, alpha-Naphthylmethyl chloride, alpha-(Chloromethyl)naphthalene, .alpha.-(Chloromethyl)naphthalene, C54201_ALDRICH, Naphthalene, (chloromethyl)-, Naphthalene, alpha-chloromethyl-, WLN: L66J B1G, 1-(Chlormethyl)naftalen [Czech], .alpha.-Naphthylmethyl chloride, NSC 8473, 25170_FLUKA, EINECS 201-678-2

Molecular Formula: C11H9ClMolecular Weight: 176.642160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: XMWGTKZEDLCVIG-UHFFFAOYSA-N

• (S)-(-)-3-Pyrrolidinol
IUPAC Name: (3S)-pyrrolidin-1-ium-3-ol | CAS Registry Number: 100243-39-8
Synonyms: ZINC01574930, ZINC02140994, CID7003742

Molecular Formula: C4H10NO+Molecular Weight: 88.128300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: JHHZLHWJQPUNKB-BYPYZUCNSA-O

• 2-Chlorophenylacetic Acid
IUPAC Name: 2-(2-chlorophenyl)acetic acid | CAS Registry Number: 2444-36-2
Synonyms: o-Chlorophenylacetic acid, 2-CHLOROPHENYLACETIC ACID, (o-Chlorophenyl)acetic acid, (2-Chlorophenyl)acetic acid, Benzeneacetic acid, 2-chloro-, Acetic acid, (o-chlorophenyl)-, 190632_ALDRICH, 25929_FLUKA, NSC4613, NSC 4613, EINECS 219-482-0, Benzeneacetic acid, 2-chloro- (9CI), Acetic acid, (o-chlorophenyl)- (8CI), TL806387, AI3-20877, ST5406670, InChI=1/C8H7ClO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11

Molecular Formula: C8H7ClO2Molecular Weight: 170.592980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IUJAAIZKRJJZGQ-UHFFFAOYSA-N


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