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Profile: GTH Chimie Fine - Fine Chemicals deals with fine chemicals, chemical intermediates, active pharmaceutical ingredients and nutraceuticals. Our products include (1-benzyl-4-piperidyl)methanol, (1-ethoxyethylidene)malononitrile, (1-propynyl)tributylstannane, (1s,4s)-2-boc-2,5-diazabicyclo(2.2.1)heptane, 3,6-bis(tert.-butyl)carbazole and '1-(tert.-butoxycarbonyl)-3-piperidone.

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• 5-Amino-4-cyano-3-cyanomethylpyrazole
IUPAC Name: 3-amino-5-(cyanomethyl)-1H-pyrazole-4-carbonitrile | CAS Registry Number: 54711-21-6
Synonyms: Bionet2_000176, EINECS 259-299-3, ZERO/005041, NSC 22478, BB_SC-3945, 3-Cyanomethyl-4-cyano-5-aminopyrazole, NSC22478, ZINC04555615, AI3-61179, 1H-Pyrazole-3-acetonitrile, 5-amino-4-cyano-, 5-Amino-4-cyanopyrazole-3-acetonitrile, 5-Amino-4-cyano-1H-pyrazole-3-acetonitrile, 4-Pyrazolecarbonitrile, 5-amino-3-cyanomethyl-, LS-128074, AK-830/25033008, 5-Amino-3-(cyanomethyl)-1H-pyrazole-4-carbonitrile

Molecular Formula: C6H5N5Molecular Weight: 147.137400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: GSXISOIYTHIBLC-UHFFFAOYSA-N

• 3,6-Difluorophthalic anhydride
IUPAC Name: 4,7-difluoro-2-benzofuran-1,3-dione | CAS Registry Number: 652-40-4
Synonyms: 4,7-difluoroisobenzofuran-1,3-dione, 3,6-Difluorophthalicanhydride, 4,7-difluoro-2-benzofuran-1,3-dione, SBB067423, PubChem1947, AC1LAHJX, 3,6-Difluorophthalic anhydride treated BSA, ACMC-1AVP1, KSC914S6P, 381128_ALDRICH, CTK8B4967, MolPort-001-777-330, WT043, ACT13000, ANW-46868, AKOS005258073, 4,7-Difluoro-isobenzofuran-1,3-dione, AC-5964, AG-F-57607, AG-L-63643

Molecular Formula: C8H2F2O3Molecular Weight: 184.096486 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: AVLRPSLTCCWJKC-UHFFFAOYSA-N

• 6-Amino-1-methyl-5-nitrosouracil
IUPAC Name: 6-amino-1-methyl-5-nitrosopyrimidine-2,4-dione | CAS Registry Number: 6972-78-7
Synonyms: 566969_ALDRICH, NSC62582, EINECS 230-213-6, SBB003857, ZINC04284506, 6-Amino-1-methyl-5-nitroso-1H-pyrimidine-2,4-dione

Molecular Formula: C5H6N4O3Molecular Weight: 170.126140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: AHOWVSJPUQTRNN-UHFFFAOYSA-N

• 1-Chloro-4-Iodobutane
IUPAC Name: 1-chloro-4-iodobutane | CAS Registry Number: 10297-05-9
Synonyms: 1-Chloro-4-iodobutane, Tetramethylene chloroiodide, 1-Iodo-4-chlorobutane, Butane, 1-chloro-4-iodo-, 396222_ALDRICH, CID82527, EINECS 233-669-4, S14-0711

Molecular Formula: C4H8ClIMolecular Weight: 218.463790 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: JXOSPTBRSOYXGC-UHFFFAOYSA-N

• 3,4-Dichloro Fluoro Benzene
IUPAC Name: 1,2-dichloro-4-fluorobenzene | CAS Registry Number: 1435-49-0
Synonyms: 3,4-Dichlorofluorobenzene, 1,2-Dichloro-4-fluorobenzene, NSC82300, CID74028, EINECS 215-858-3, ST5405266

Molecular Formula: C6H3Cl2FMolecular Weight: 164.992423 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QSDKXMVGRLVIQV-UHFFFAOYSA-N

• 1,3-Dichloro-4-Iodobenzene
IUPAC Name: 2,4-dichloro-1-iodobenzene | CAS Registry Number: 29898-32-6
Synonyms: 2,4-Dichloroiodobenzene, 1,3-Dichloro-4-iodobenzene, 2,4-Dichloro-1-iodobenzene, 283533_ALDRICH, NSC90657, CID96864, EINECS 249-938-4, BBV-5761532, InChI=1/C6H3Cl2I/c7-4-1-2-6(9)5(8)3-4/h1-3

Molecular Formula: C6H3Cl2IMolecular Weight: 272.898490 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ZQKJCBDCOGLKCQ-UHFFFAOYSA-N

• 4'-tert-Butylacetophenone (CAS: 943-27-1)
• 4,4'-Biphenyldicarboxylic Acid
IUPAC Name: 4-(4-carboxyphenyl)benzoic acid | CAS Registry Number: 787-70-2
Synonyms: p,p'-Diphenic acid, 4,4'-Diphenic acid, 4,4'-Bibenzoic acid, 4,4'-Dicarboxybiphenyl, BIBENZOIC ACID, USAF DO-69, WLN: QVR DR DVQ, Oprea1_519768, 4,4'-Biphenyl dicarboxylic acid, Biphenyl-4,4'-dicarboxylic acid, 225266_ALDRICH, 4,4'-BIPHENYLDICARBOXYLIC ACID, EINECS 212-328-3, NSC 60016, NSC60016, BRN 0523308, STK012281, (1,1'-Biphenyl)-4,4'-dicarboxylic acid, LS-44301, [1,1'-Biphenyl]-4,4'-dicarboxylic acid

Molecular Formula: C14H10O4Molecular Weight: 242.226800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: NEQFBGHQPUXOFH-UHFFFAOYSA-N

• 3-Amino-5-tert-butylisoxazole
IUPAC Name: 5-tert-butyl-1,2-oxazol-3-amine | CAS Registry Number: 55809-36-4
Synonyms: 666580_ALDRICH, ZINC00390892, CID171473, SBB005492, FS000021

Molecular Formula: C7H12N2OMolecular Weight: 140.182980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GGXGVZJHUKEJHO-UHFFFAOYSA-N

• 2-Bromo-5-methylbenzoic acid
IUPAC Name: 2-bromo-5-methylbenzoic acid | CAS Registry Number: 6967-82-4
Synonyms: NSC20686, CID228080

Molecular Formula: C8H7BrO2Molecular Weight: 215.043980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZXMISUUIYPFORW-UHFFFAOYSA-N

• 2-Acetamidobenzoic acid (CAS: 89-52-1)
• 2-(Carboxymethoxy)Benzoic Acid
IUPAC Name: 2-(carboxymethyloxy)benzoic acid | CAS Registry Number: 635-53-0
Synonyms: Salicylacetic acid, (o-Carboxyphenoxy)acetic acid, o-(Carboxymethoxy)benzoic acid, o-Anisic acid, alpha-carboxy-, 2-(Carboxymethoxy)benzoic acid, Acetic acid, (o-carboxyphenoxy)-, Acetic acid, (2-carboxyphenoxy)-, O-(carboxymethoxy) benzoic acid, Benzoic acid, 2-(carboxymethoxy)-, NSC 1335, NSC1335, o-Anisic acid, .alpha.-carboxy-, CID69461, BRN 2109705, AI3-16490, BBV-181883, o-Anisic acid, alpha-carboxy- (8CI), LS-36374, 4-10-00-00140 (Beilstein Handbook Reference)

Molecular Formula: C9H8O5Molecular Weight: 196.156820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: JLLXSRLEXBECPY-UHFFFAOYSA-N

• 4-Chloro-3-nitrobenzyl alcohol
IUPAC Name: (4-chloro-3-nitrophenyl)methanol | CAS Registry Number: 55912-20-4
Synonyms: 184160_ALDRICH, 4-Chloro-3-nitrobenzenemethanol, DAlc2-H_000045, Benzenemethanol, 4-chloro-3-nitro-, EINECS 259-901-4, ZINC02567941, Benzyl alcohol, 4-chloro-:3-nitro-

Molecular Formula: C7H6ClNO3Molecular Weight: 187.580440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QLLRQJDSYJIXTN-UHFFFAOYSA-N

• 4-(3,4-Dimethoxy-Phenyl)-3-Methyl-1h-Pyrazole
IUPAC Name: (3,4-dichlorophenyl)methanesulfonyl chloride | CAS Registry Number: 85952-30-3
Synonyms: 678627_ALDRICH, BZS-Q04-0, 3,4-Dichlorobenzylsulfonyl chloride, BBV-011468, CID2794622, (3,4-Dichlorophenyl)methanesulfonyl chloride, 3,4-Dichlorobenzenemethanesulfonyl chloride, 3,4-Dichloro-alpha-toluenesulfonyl chloride, (3,4-Dichloro-phenyl)-methanesulfonyl chloride

Molecular Formula: C7H5Cl3O2SMolecular Weight: 259.537400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DRYGYFAFCNDLEJ-UHFFFAOYSA-N

• 2-Bromothiazole
IUPAC Name: 2-bromo-1,3-thiazole | CAS Registry Number: 3034-53-5
Synonyms: Thiazole, 2-bromo-, 2-Bromo-1,3-thiazole, 160474_ALDRICH, NSC91532, EINECS 221-229-4, NSC 91532, SBB003918, ZINC01592420, B2607G25, TL806302, InChI=1/C3H2BrNS/c4-3-5-1-2-6-3/h1-2

Molecular Formula: C3H2BrNSMolecular Weight: 164.023680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RXNZFHIEDZEUQM-UHFFFAOYSA-N

• 1-N-Boc-3-Piperidone (CAS: 98977-36-7)
• 3-Acetylbenzoic acid
IUPAC Name: 3-acetylbenzoic acid | CAS Registry Number: 586-42-5
Synonyms: NSC2932, 253839_ALDRICH, ALBB-006410, CID220324, ACETOPHENONE-3-CARBOXYLIC ACID, ST5405626

Molecular Formula: C9H8O3Molecular Weight: 164.158020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CHZPJUSFUDUEMZ-UHFFFAOYSA-N

• 4-Bromophthalic acid
IUPAC Name: 4-bromophthalic acid | CAS Registry Number: 6968-28-1
Synonyms: NSC20682, EINECS 230-183-4, 1,2-Benzenedicarboxylic acid, 4-bromo-, SBB007850, FR-0454

Molecular Formula: C8H5BrO4Molecular Weight: 245.026900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: AZXKGUVDIORSED-UHFFFAOYSA-N

• 3,5-Dibromo-4-Hydroxy-Benzaldehyde
IUPAC Name: 3,5-dibromo-4-hydroxybenzaldehyde | CAS Registry Number: 2973-77-5
Synonyms: 453137_ALDRICH, NSC72944, 3,5-DIBROMO-4-HYDROXYBENZALDEHYDE, CID18100, EINECS 221-017-1, SBB006529, ZINC00057039, Benzaldehyde, 3,5-dibromo-4-hydroxy-, TL8002316, InChI=1/C7H4Br2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11

Molecular Formula: C7H4Br2O2Molecular Weight: 279.913460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SXRHGLQCOLNZPT-UHFFFAOYSA-N

• 2,2,5,7,8-Pentamethylchroman-6-Sulfonyl Chloride
IUPAC Name: 2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonyl chloride | CAS Registry Number: 112160-39-1
Synonyms: 2,2,5,7,8-pentamethylchroman-6-sulfonyl Chloride, Pmc-Cl, 2,2,5,7,8-Pentamethyl-chromane-6-sulfonyl chloride, 2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonyl chloride, 2H-1-Benzopyran-6-sulfonylchloride, 3,4-dihydro-2,2,5,7,8-pentamethyl-, 3,4-Dihydro-2,2,5,7,8-pentamethyl-2H-1-benzopyran-6-sulfonyl chloride, AC1NAB4D, ACMC-20a7r4, 25649_ALDRICH, 25649_FLUKA, CTK0H2875, MolPort-003-928-697, ANW-60974, SBB063824, AKOS015889781, AG-D-31110, AK-76493, KB-224819, FT-0609120, A802502

Molecular Formula: C14H19ClO3SMolecular Weight: 302.816860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UXUOVYKDMGFUDU-UHFFFAOYSA-N

• (Tert-butoxycarbonylmethyl)tripheenyphosphonium Bromide
IUPAC Name: [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-triphenylphosphanium bromide | CAS Registry Number: 59159-39-6
Synonyms: NSC82468, ST5408780

Molecular Formula: C24H26BrO2PMolecular Weight: 457.339801 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZGLFRTJDWWKIAK-UHFFFAOYSA-M

• 1-Bromo-3-Isopropoxybenzene
IUPAC Name: 1-bromo-3-propan-2-yloxybenzene | CAS Registry Number: 131738-73-3
Synonyms: 1-Bromo-3-isopropoxybenzene, 3-Bromophenyl isopropyl ether, 3-bromo-isopropoxybenzene, 3-bromoisoproproxylbenzene, 2-(3-Bromophenoxy)propane, 1-bromo-3-propan-2-yloxybenzene, 1-bromo-3-(propan-2-yloxy)benzene, ST50408776, ZINC00403355, PubChem14867, 3-bromoisopropoxybenzene, AC1MMGU8, AC1Q1QN1, SureCN1204347, SureCN8384042, 3-Isopropoxy-1-bromobenzene, ACMC-1C80U, 3-bromo phenyl isopropyl ether, 3-Bromophenyl Isopropyl Ketone, Isopropyl 3-Bromophenyl Ketone

Molecular Formula: C9H11BrOMolecular Weight: 215.087040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JYWJZIQSPRFCDB-UHFFFAOYSA-N

• 4-Bromo-2-Thiophenecarboxaldehyde
IUPAC Name: 4-bromothiophene-2-carbaldehyde | CAS Registry Number: 18791-75-8
Synonyms: 283452_ALDRICH, 4-Bromothiophene-2-carbaldehyde, 18445_FLUKA, 4-Bromo-2-thiophenecarboxaldehyde, 4-Bromothiophene-2-carboxaldehyde, ZINC00120279, CID87792, EINECS 242-577-3, SBB000293, TL806348

Molecular Formula: C5H3BrOSMolecular Weight: 191.045720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PDONIKHDXYHTLS-UHFFFAOYSA-N

• 2,4-Diamino-6-chloro-1,3,5-triazine
IUPAC Name: 6-chloro-1,3,5-triazine-2,4-diamine | CAS Registry Number: 3397-62-4
Synonyms: Desdiethyl simazine, Deisopropyldeethylatrazine, Desdiisopropyl propazine, MET58C_SUPELCO, 2-Chloro-4,6-diaminotriazine, Desethyldesisopropyl atrazine, Atrazine-desethyl-desisopropyl, C33301_ALDRICH, Desethyl-desisopropyl-Atrazine, 2,4-Diamino-6-chloro-s-triazine, 36667_RIEDEL, 36743_RIEDEL, s-Triazine, 2,4-diamino-6-chloro-, 2-Chloro-4,6-diamino-1,3,5-triazine, CHEBI:27726, NSC7965, 1,3,5-Triazine-2,4-diamine, 6-chloro-, ENT 50982, NSC680830, 6-Chloro-1,3,5-triazine-2,4-diamine

Molecular Formula: C3H4ClN5Molecular Weight: 145.550360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: FVFVNNKYKYZTJU-UHFFFAOYSA-N

• 2-Amino-5-chlorobenzoxazole
IUPAC Name: 5-chloro-1,3-benzoxazol-2-amine | CAS Registry Number: 61-80-3
Synonyms: Zoxazolamine, Contrazole, Flexin, Deflexol, Flexilon, Zoxamin, Zoxine, Zoxaxzolamine, Prestwick_897, Zossazolamina [DCIT], 2-Benzoxazolamine, 5-chloro-, USAF MA-12, Spectrum_001749, SpecPlus_000767, Zoxazolaminum [INN-Latin], 5-Chloro-2-benzoxazolamine, McN-485, Zoxazolamina [INN-Spanish], C7H5ClN2O, Prestwick0_000328

Molecular Formula: C7H5ClN2OMolecular Weight: 168.580400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YGCODSQDUUUKIV-UHFFFAOYSA-N

• 2-Brominepropionylchloride
IUPAC Name: 2-bromopropanoyl chloride | CAS Registry Number: 7148-74-5
Synonyms: 2-Bromopropionyl chloride, sGQDJLPqBSMUH@, Ambap1419, 2-Bromopropanoyl chloride, NCIOpen2_000096, Propanoyl chloride, 2-bromo-, .alpha.-Bromopropionyl chloride, 145807_ALDRICH, (+-)-2-Bromopropionyl chloride, NSC64455, EINECS 230-466-2

Molecular Formula: C3H4BrClOMolecular Weight: 171.420260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OZGMODDEIHYPRY-UHFFFAOYSA-N

• 4-Bromoacetophenone (CAS: 99-90-1)
• 2-Bromo-4,6-Di-Tert-Butylphenol
IUPAC Name: 2-bromo-4,6-ditert-butylphenol | CAS Registry Number: 20834-61-1
Synonyms: 2-Bromo-4,6-di-t-butylphenol, ZINC00152769, BTB04137, CID519822

Molecular Formula: C14H21BrOMolecular Weight: 285.219940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DIWZVAHZEOFSLS-UHFFFAOYSA-N

• 5-chloro Valeronitrile
IUPAC Name: 5-chloropentanenitrile | CAS Registry Number: 6280-87-1
Synonyms: 5-Chlorovaleronitrile, sNxHFHaIUZjp@, 5-Chloropentanenitrile, 5-Chloro-n-valeronitrile, Pentanenitrile, 5-chloro-, Valeronitrile, 5-chloro-, .delta.-Chlorovaleronitrile, C73001_ALDRICH, NSC6156, EINECS 228-481-4, ZINC01693305, AI3-20151

Molecular Formula: C5H8ClNMolecular Weight: 117.576720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JSAWFGSXRPCFSW-UHFFFAOYSA-N

• 1-Cyclohexyl-3-(2-Morpholinoethyl)Carbodiimide Metho-P-Toluenesulfonate
IUPAC Name: N'-cyclohexyl-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]methanediimine; 4-methylbenzenesulfonate | CAS Registry Number: 2491-17-0
Synonyms: CME-CARBODIIMIDE, CHM (VAN), C1011_SIGMA, NSC231596, 29469_FLUKA, 29469_SIGMA, CID17220, EINECS 219-650-3, NSC 231596, LT00159505, 1-Cyclohexyl 3-(2-morpholinoethyl)carbodiimide methotosylate, 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide methyl-p-toluenesulfonate, N-Cyclohexyl-N'-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate, N-Cyclohexyl-N'-2-morpholinyl(4)ethylcarbodiimide methyl-p-toluenesulfonate, 1-Cyclohexyl-3-(2-morpholinyl-(4)-ethyl)carbodiimide metho-p-toluenesulfonate, 4-(2-((Cyclohexylcarbonimidoyl)amino)ethyl)-4-methylmorpholinium toluene-p-sulphonate, Morpholinium, 4-[2-[(cyclohexylimidocarbonyl)amino]ethyl]-4-methyl-, p-toluenesulfonate, N-Cyclohexyl-N'-(beta-(4-methylmorpholinio)ethyl)carbodiimide p-toluenesulfonate, N-Cyclohexyl-N'-(beta-[N-methylmorpholino]ethyl)carbodiimide p-toluenesulfonate, N-Cyclohexyl-N'-.beta.-(methylmorpholinium)ethylcarbodiimide p-toluenesulfonate

Molecular Formula: C21H33N3O4SMolecular Weight: 423.569420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: GBCAVSYHPPARHX-UHFFFAOYSA-M

• 4-Cyano-Acetophenone
IUPAC Name: 4-acetylbenzonitrile | CAS Registry Number: 1443-80-7
Synonyms: 4-Acetylbenzonitrile, 4'-Cyanoacetophenone, Benzonitrile, 4-acetyl-, Benzonitrile, p-acetyl-, P-CYANOACETOPHENONE, 154393_ALDRICH, EINECS 215-885-0, STK063185, ZINC00167039, InChI=1/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H

Molecular Formula: C9H7NOMolecular Weight: 145.157980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NLPHXWGWBKZSJC-UHFFFAOYSA-N

• 2-Chloro-3-hydroxy-4-methoxybenzaldehyde
IUPAC Name: 2-chloro-3-hydroxy-4-methoxybenzaldehyde | CAS Registry Number: 37687-57-3
Synonyms: 2-Chloroisovanillin, 565997_ALDRICH, 2-Chloro-3-hydroxy-p-anisaldehyde, EINECS 253-627-9, SBB003704, Benzaldehyde, 2-chloro-3-hydroxy-4-methoxy-

Molecular Formula: C8H7ClO3Molecular Weight: 186.592380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DTMJGFBJQBQOIA-UHFFFAOYSA-N

• 1-Bromo-4-methylnaphthalene
IUPAC Name: 1-bromo-4-methylnaphthalene | CAS Registry Number: 6627-78-7
Synonyms: Ambap5813, 4-Bromo-1-methylnaphthalene, Naphthalene, 1-bromo-4-methyl-, 4-Methyl-1-bromonaphthalene, B72604_ALDRICH, NSC60231, CID81112, EINECS 229-599-9

Molecular Formula: C11H9BrMolecular Weight: 221.093160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: IDRVLLRKAAHOBP-UHFFFAOYSA-N

• 1-(4-Bromo-2-Thienyl)-1-Ethanone
IUPAC Name: 1-(4-bromothiophen-2-yl)ethanone | CAS Registry Number: 7209-11-2
Synonyms: ZINC00161650, CID2735237, 10X-0139

Molecular Formula: C6H5BrOSMolecular Weight: 205.072300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HXVLWNKFMNRJED-UHFFFAOYSA-N

• 4-Cyanobenzaldehyde
IUPAC Name: 4-formylbenzonitrile | CAS Registry Number: 105-07-7
Synonyms: 4-Formylbenzonitrile, p-Cyanobenzaldehyde, p-Formylbenzonitrile, Benzonitrile, 4-formyl-, Terephthalaldehydonitrile, Benzaldehyde, p-cyano-, Benzonitrile, p-formyl-, USAF KF-1, p-Cyanobenzenecarboxaldehyde, WLN: VHR DCN, C89609_ALDRICH, Terephthalaldehydonitrile (8CI), NSC 5091, 28350_FLUKA, EINECS 203-267-3, NSC5091, SBB008634, ZINC00156750, FR-2351, LS-24982

Molecular Formula: C8H5NOMolecular Weight: 131.131400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WZWIQYMTQZCSKI-UHFFFAOYSA-N

• 2-Chloropropene
IUPAC Name: 2-chloroprop-1-ene | CAS Registry Number: 557-98-2
Synonyms: Isopropenyl chloride, 2-Chloropropylene, beta-Chloropropene, 1-Propene, 2-chloro-, beta-Chloropropylene, Propene, 2-chloro-, 2-chloroprop-1-ene, 2-CHLORO-1-PROPENE, HSDB 5694, 254355_ALDRICH, EINECS 209-187-5, UN2456, CID11203, BRN 1361376, OR1897, LS-123455, 2-Chloropropene [UN2456] [Flammable liquid], 2-Chloropropene [UN2456] [Flammable liquid], 4-01-00-00737 (Beilstein Handbook Reference)

Molecular Formula: C3H5ClMolecular Weight: 76.524800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: PNLQPWWBHXMFCA-UHFFFAOYSA-N

• 4-Aminobenzo-2,1,3-thiadiazole
IUPAC Name: 2,1,3-benzothiadiazol-7-amine | CAS Registry Number: 767-64-6
Synonyms: 4-Aminopiazthiole, 2,1,3-Benzothiadiazol-4-amine, 4-Amino-2,1,3-benzothiadiazole, Maybridge1_004938, 7-Amino-2,1,3-benzothiadiazole, NCIStruc1_000017, NCIStruc2_000083, Oprea1_286470, WLN: T56 BNSNJ FZ, MLS000762975, NSC73013, 2,1,3-Benzothiadiazole, 4-amino-, 2,1,3-Benzothiadiazole, 7-amino-, 102520_ALDRICH, 2,1,3-Benzothiadiazol-4-ylamine, EINECS 212-186-2, NSC 73013, ALBB-000349, Benzo[1,2,5]thiadiazol-4-ylamine, BRN 0003551

Molecular Formula: C6H5N3SMolecular Weight: 151.189000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DRLGIZIAMHIQHL-UHFFFAOYSA-N

• 2-(2-Chlorophenoxy)Propionic Acid
IUPAC Name: 2-(2-chlorophenoxy)propanoic acid | CAS Registry Number: 25140-86-7
Synonyms: 2-(2-Chlorophenoxy)propanoic acid, 2-(o-Chlorophenoxy)propionic acid, 2-(2-Chlorophenoxy)propionic acid, Propionic acid, 2-(o-chlorophenoxy)-, Propanoic acid, 2-(2-chlorophenoxy)-, AIDS017852, ARONIS009914, AKE-BBV-006767, PHD-S02-01, AIDS-017852, ALBB-000834, CID72862, STK397539, Acide (o-chlorophenoxy)-2 propionique, AI3-14676, (+/-)-2-(2-chlorophenoxy)propionic acid, Acide (o-chlorophenoxy)-2 propionique [French], LS-124565, T6097050, 76466-16-5

Molecular Formula: C9H9ClO3Molecular Weight: 200.618960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZGWNXHRVUJVMCP-UHFFFAOYSA-N

• 5-Nitro Anthranilic Acid
IUPAC Name: 2-amino-5-nitrobenzoic acid | CAS Registry Number: 616-79-5
Synonyms: 5-Nitroanthranilic acid, 4-Nitro-anthranilic acid, 2-AMINO-5-NITROBENZOIC ACID, Benzoic acid, 2-amino-5-nitro-, Anthranilic acid, 5-nitro-, NCIOpen2_000213, 340693_ALDRICH, 382116_ALDRICH, 08845_FLUKA, AIDS019477, AIDS-019477, NSC16208, NSC63867, Anthranilic acid, 5-nitro- (8CI), EINECS 210-493-6, NSC 16208, NSC 63867, SBB006718, TL806309, InChI=1/C7H6N2O4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11

Molecular Formula: C7H6N2O4Molecular Weight: 182.133540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: RUCHWTKMOWXHLU-UHFFFAOYSA-N

• 2-Chloro-6-methylphenyl isocyanate
IUPAC Name: 1-chloro-2-isocyanato-3-methylbenzene | CAS Registry Number: 40398-01-4
Synonyms: 445479_ALDRICH, NSC108229, ZINC01700393, 6-CHLORO-2-METHYLPHENYLISOCYANATE, InChI=1/C8H6ClNO/c1-6-3-2-4-7(9)8(6)10-5-11/h2-4H,1H

Molecular Formula: C8H6ClNOMolecular Weight: 167.592340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FBTQQNYGMICJQZ-UHFFFAOYSA-N

• 4,5-Dichlorophthalic anhydride (CAS: 942-06-3)
• 3-Bromo-4-methylaniline
IUPAC Name: 3-bromo-4-methylaniline | CAS Registry Number: 7745-91-7
Synonyms: 3-Bromo-p-toluidine, p-Toluidine, 3-bromo-, 3-Bromo-1,4-toluidine, Benzenamine, 3-bromo-4-methyl-, WLN: ZR CE D1, 360619_ALDRICH, EINECS 231-807-8, ZERO/001507, NSC 139873, BRN 1562057, NSC139873, ZINC00084940, Benzenamine, 3-bromo-4-methyl- (9CI), LS-154326, 4-12-00-01991 (Beilstein Handbook Reference)

Molecular Formula: C7H8BrNMolecular Weight: 186.049120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GRXMMIBZRMKADT-UHFFFAOYSA-N

• 4-chloro-3-(trifluoromethyl)phenyl Isocyanate
IUPAC Name: 1-chloro-4-isocyanato-2-(trifluoromethyl)benzene | CAS Registry Number: 327-78-6
Synonyms: 374881_ALDRICH, ZINC00152294, ALBB-007573, CID2733265, AC 30913, 4-Chloro-3-(trifluoromethyl)phenyl isocyanate, 1-chloro-4-isocyanato-2-(trifluoromethyl)benzene, 4-CHLORO-3-TRIFLUOROMETHYLPHENYL ISOCYANATE

Molecular Formula: C8H3ClF3NOMolecular Weight: 221.563730 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: NBJZEUQTGLSUOB-UHFFFAOYSA-N

• 2-Chloro-5-(Trifluoromethyl)Phenyl Isocyanate
IUPAC Name: 1-chloro-2-isocyanato-4-(trifluoromethyl)benzene | CAS Registry Number: 50528-86-4
Synonyms: 374865_ALDRICH, STK502578, ZINC02384709, ALBB-003058, CID2733263, 1-chloro-2-isocyanato-4-(trifluoromethyl)benzene, 2-Chloro-5-(trifluoromethyl)phenyl isocyanate

Molecular Formula: C8H3ClF3NOMolecular Weight: 221.563730 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: WEPYOPYMWSHRIW-UHFFFAOYSA-N

• 6-Bromo Picolinic Acid
IUPAC Name: 6-bromopyridine-2-carboxylic acid | CAS Registry Number: 21190-87-4
Synonyms: 6-Bromopicolinic acid, TPC-PY064, 484652_ALDRICH, 6-bromopyridine-2-carboxylic acid, 6-Bromo-2-pyridinecarboxylic acid, 6-Bromo-2-Pyridine Carboxylic Acid, CID593919, SBB003525, TL8001764, AC-907/30003051

Molecular Formula: C6H4BrNO2Molecular Weight: 202.005460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XURXQNUIGWHWHU-UHFFFAOYSA-N

• 2,6-Diamino-8-Purinol Hemisulfate Monohydrate
IUPAC Name: 2,6-diamino-7,9-dihydropurin-8-one | CAS Registry Number: 123333-49-3
Synonyms: 2,6-diamino-7,9-dihydropurin-8-one, 72308-52-2, AG-G-84531, 2,6-DIAMINO-9H-PURINE-8-OL, ST51005940, 2,6-Diamino-8-purinol hemisulfate monohydrate, NSC30101, ACMC-20mqif, 2,6-diaminopurin-8-ol, 2,6-Diamino-8-purinol, AC1NS73U, SureCN2894426, SureCN4907122, SureCN4907123, Oprea1_139337, CTK0H5745, CTK5D5881, EINECS 276-576-4, 2,6-DIAMINO-8-HYDROXYPURINE, GEO-00929

Molecular Formula: C5H6N6OMolecular Weight: 166.140740 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: LREVGBUCKQNOFO-UHFFFAOYSA-N

• 1-(4-chlorophenyl)-1H-pyrrole
IUPAC Name: 1-(4-chlorophenyl)pyrrole | CAS Registry Number: 5044-38-2
Synonyms: 1-(4-Chlorophenyl)pyrrole, ChemDiv2_003440, Pyrrole, 1-(p-chlorophenyl)-, Maybridge1_002870, 1-(4-Chlorophenyl)-1H-pyrrole, 1H-Pyrrole, 1-(4-chlorophenyl)-, DivK1c_001622, 452947_ALDRICH, NB-178, NSC116796, AIDS126596, AIDS-126596, CID272425, ZINC00138294, NSC 116796, CDS1_000582, ST5405918, EU-0032749, InChI=1/C10H8ClN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8

Molecular Formula: C10H8ClNMolecular Weight: 177.630220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LTOQUFIOYDCJFJ-UHFFFAOYSA-N

• 2-Chloromethylbenzimidazole
IUPAC Name: 2-(chloromethyl)-1H-benzimidazole | CAS Registry Number: 4857-04-9
Synonyms: Dimezole-7, 2-(Chloromethyl)benzimidazole, Bionet2_000972, NCIOpen2_001638, C52055_ALDRICH, 2-(Chloromethyl)-1H-benzimidazole, TOS-BB-1230, WLN: T56 BM DNJ C1G, ZERO/001716, Benzimidazole, 2-(chloromethyl)-, 1H-Benzimidazole, 2-(chloromethyl)-, ALBB-003825, NSC15436, PDC 6886, EINECS 225-452-8, NSC103708, ZINC00088441, InChI=1/C8H7ClN2/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,11

Molecular Formula: C8H7ClN2Molecular Weight: 166.607580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SPMLMLQATWNZEE-UHFFFAOYSA-N

• 4-Bromophenethyl alcohol
IUPAC Name: 2-(4-bromophenyl)ethanol | CAS Registry Number: 4654-39-1
Synonyms: Benzeneethanol, 4-bromo-, p-Bromophenethyl alcohol, p-Bromo-phenethyl alcohol, Phenethyl alcohol, p-bromo-, 2-(4-Bromophenyl)ethanol, 183431_ALDRICH, 18053_FLUKA, AIDS017547, AIDS-017547, CID72851, EINECS 225-093-7, ZINC00167004, FS000612, AI3-02518, ST5319445

Molecular Formula: C8H9BrOMolecular Weight: 201.060460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: PMOSJSPFNDUAFY-UHFFFAOYSA-N

• 3,5-Dibromosalicylaldehyde (CAS: 90-59-5)

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