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KHBoddin GmbH

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Profile: Karl H. Boddin Chemiehandel GmbH deals with pharmaceutical chemical products, raw materials and intermediates. We provide animal feed additives, foodstuff additives, raw materials for cosmetics and oil-based primary chemical products. Our product line includes acetanilide, acenaphthene, acetoacetanilide, acetylencarboxylic acid, 2-amino-4,5-dimethoxybenzoic acid, ammonium benzoate, benzalkonium chloride, benzotriazole, benzylacetone, benzyl acetate and 2-n-butylbenzofuran.

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• 5-Bromobenzo[B]Thiophene
IUPAC Name: 5-bromo-1-benzothiophene | CAS Registry Number: 4923-87-9
Synonyms: 5-BROMOBENZO[B]THIOPHENE, 5-Bromobenzothiophene, 5-bromo-1-benzothiophene, 5-bromo-benzo[b]thiophene, 5-Bromothianaphthene, 133150-64-8, SBB054552, ZINC00159026, zlchem 181, PubChem7752, PubChem15353, ACMC-1ANOX, AC1MCR2O, SureCN226062, 5-bromanyl-1-benzothiophene, CTK3J1462, ZLB0172, MolPort-000-141-142, ANW-30746, BENZO[B]THIOPHENE, 5-BROMO-

Molecular Formula: C8H5BrSMolecular Weight: 213.094300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RDSIMGKJEYNNLF-UHFFFAOYSA-N

• (R)-Tetrahydrofurfurylamine
IUPAC Name: [(2R)-oxolan-2-yl]methanamine | CAS Registry Number: 7202-43-9
Synonyms: (R)-(-)-Tetrahydrofurfurylamine, (R)-2-(Aminomethyl)tetrahydrofuran, (R)-(tetrahydrofuran-2-yl)methanamine, PubChem7001, R-Tetrahydrofurfurylamine, AC1MC0ET, SureCN226121, (R)-tetrahydrofurfurylamine, Ambcb4036792, (2R)-oxolan-2-ylmethanamine, 412937_ALDRICH, AC1Q50F4, [(2R)-oxolan-2-yl]methanamine, MolPort-001-791-947, ANW-36143, RW3007, AKOS015836399, AM81808, LS30245, RP18742

Molecular Formula: C5H11NOMolecular Weight: 101.146940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YNOGYQAEJGADFJ-RXMQYKEDSA-N

• 4-ethynylanisole
IUPAC Name: 1-ethynyl-4-methoxybenzene | CAS Registry Number: 768-60-5
Synonyms: 4-Ethynylanisole, 4-Methoxyphenylacetylene, 1-Ethynyl-4-methoxybenzene, Benzene, 1-ethynyl-4-methoxy-, 206490_ALDRICH, NSC71091, BTB 09899, ZINC00984394, InChI=1/C9H8O/c1-3-8-4-6-9(10-2)7-5-8/h1,4-7H,2H

Molecular Formula: C9H8OMolecular Weight: 132.159220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: KBIAVTUACPKPFJ-UHFFFAOYSA-N

• 3-Acetamido thioanisole
IUPAC Name: N-(3-methylsulfanylphenyl)acetamide | CAS Registry Number: 2524-78-9
Synonyms: WLN: 1VMR CS1, MLS000701567, N-Acetyl-m-(methylthio)aniline, Acetanilide, 3'-(methylthio)-, N-[3-(Methylsulfanyl)phenyl]acetamide, Acetamide, N-[3-(methylthio)phenyl]-, Aniline, N-acetyl-3-(methylthio)-, NSC157358, ZINC00362997, SMR000229022, ST5410205, TL8006814, AN-652/40173320

Molecular Formula: C9H11NOSMolecular Weight: 181.254740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DFRHNWNBWOIBRW-UHFFFAOYSA-N

• 4,4'-(1,2-Ethenediyl)bis[N,N-Diphenylbenzenamine]
IUPAC Name: N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline | CAS Registry Number: 116942-09-7
Synonyms: BDPAS, (E)-4,4'-BIS(DIPHENYLAMINO)STILBENE, SureCN1509719, ACN-S002626, ZINC34355486, AKOS015909696, FT-0659544, ST51055410, X4215, I14-6427, I14-31992

Molecular Formula: C38H30N2Molecular Weight: 514.658200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FAJMLEGDOMOWPK-QURGRASLSA-N

• 1,8-Diamino Naphthalene
IUPAC Name: naphthalene-1,8-diamine | CAS Registry Number: 479-27-6
Synonyms: 1,8-Naphthalenediamine, Naphthalene-1,8-diamine, 1,8-Diaminonaphthalene, 1,8-Naphthylenediamine, D21405_ALDRICH, NSC 6081, 33170_FLUKA, 33180_FLUKA, EINECS 207-529-8, NSC6081, ZINC00388487, 1,8-NAPHTHYLENEDIAMINE, TECH, AI3-03804, LS-167531, InChI=1/C10H10N2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H,11-12H

Molecular Formula: C10H10N2Molecular Weight: 158.199800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YFOOEYJGMMJJLS-UHFFFAOYSA-N

• 1-Eth-1-ynyl-4-propylbenzene
IUPAC Name: 1-ethynyl-4-propylbenzene | CAS Registry Number: 62452-73-7
Synonyms: 4-Propylphenylacetylene, 1-ETH-1-YNYL-4-PROPYLBENZENE, 1-Ethynyl-4-propylbenzene, 4-n-Propylphenylacetylene, SBB055300, AG-G-29329, 1-ethynyl-4-propyl-benzene, PubChem10973, 4-ethynyl-1-propylbenzene, ACMC-209n3w, AC1MCQ07, P-PROPYLETHYNYLBENZENE, KSC491I8N, CTK3J1486, MolPort-000-141-936, ACN-S002658, ANW-34218, ZINC02555808, AKOS005146104, AC-4956

Molecular Formula: C11H12Molecular Weight: 144.212980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: UVFFOABHOIMLNB-UHFFFAOYSA-N

• 2-Ethyl Hexylnitrate
IUPAC Name: 2-ethylhexyl nitrate | CAS Registry Number: 27247-96-7
Synonyms: Nitronal, 2-Ethylhexyl nitrate, Ethylhexyl nitrate, 2-Ethylhexylnitrate, 293784_ALDRICH, EINECS 248-363-6, NITRIC ACID, 2-ETHYLHEXYL ESTER, NCGC00164130-01, LS-96721, TL8002198

Molecular Formula: C8H17NO3Molecular Weight: 175.225480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: NKRVGWFEFKCZAP-UHFFFAOYSA-N

• 4,6-Dichloro-5-methoxypyrimidine
IUPAC Name: 4,6-dichloro-5-methoxypyrimidine | CAS Registry Number: 5018-38-2
Synonyms: EINECS 225-699-1, NSC252184, Pyrimidine, 4,6-dichloro-5-methoxy-, TL8003327

Molecular Formula: C5H4Cl2N2OMolecular Weight: 179.004060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: IJQIGKLDBGKSNT-UHFFFAOYSA-N

• 5-Bromo Azaindole
IUPAC Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine | CAS Registry Number: 183208-35-7
Synonyms: 5-Bromo-7-azaindole, 5-bromo-1H-pyrrolo[2,3-b]pyridine, RW2897, SBB054655, 3-Bromo-7H-pyrrolo[2,3-b]pyridine, 5-bromo-1H-pyrrolo[2 , 3-b]pyridine, 5-bromopyrrolo[2,3-b]pyridine, PubChem14698, 5-BROMO AZAINDOLE, ACMC-1C0UF, SureCN153413, SureCN755641, KSC174K5D, AC1Q258Q, Jsp003754, CTK0H4551, HIN1529, MolPort-001-794-121, ACN-S002666, ACN-S003136

Molecular Formula: C7H5BrN2Molecular Weight: 197.032000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LPTVWZSQAIDCEB-UHFFFAOYSA-N

• (S)-Ethyloxirane
IUPAC Name: (2S)-2-ethyloxirane | CAS Registry Number: 30608-62-9
Synonyms: (S)-(-)-1,2-Epoxybutane, (S)-1,2-Epoxybutane, (2S)-2-ethyloxirane, (2S)-Ethyloxirane, PubChem14100, (S)-(-)-Ethyloxirane, AC1Q2C8I, (S)-(-)-Butylene Oxide, KSC497Q8P, (S)-(-)-Ethylethylene Oxide, 532363_ALDRICH, Jsp005772, CTK3J7887, (2S)-(-)-1,2-Epoxybutane, ZINC01609004, AKOS015918476, AG-F-00980, LS30242, OR42173, (2S)-(-)-3-Methyl-1,2-propenoxide

Molecular Formula: C4H8OMolecular Weight: 72.105720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RBACIKXCRWGCBB-BYPYZUCNSA-N

• 2-Bromothiophene
IUPAC Name: 2-bromothiophene | CAS Registry Number: 1003-09-4
Synonyms: 2-BROMOTHIOPHENE, Thiophene, 2-bromo-, 2-Thienyl bromide, sFpDAbHHRYSZZP@, 124168_ALDRICH, NSC4456, NSC 4456, EINECS 213-699-4, SBB003931, ZINC01673392, TL8000043, H23029, InChI=1/C4H3BrS/c5-4-2-1-3-6-4/h1-3

Molecular Formula: C4H3BrSMolecular Weight: 163.035620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: TUCRZHGAIRVWTI-UHFFFAOYSA-N

• 4-(trans-4-n-Pentylcyclohexyl)phenol
IUPAC Name: 4-(4-pentylcyclohexyl)phenol | CAS Registry Number: 82575-69-7
Synonyms: 4-(trans-4-pentylcyclohexyl)phenol, 4-(Trans-4-n-Pentylcyclohexyl)Phenol, 4-(4-pentylcyclohexyl)phenol, F0266-0248, 4-PENTYL-CYCLOHEXYL PHENOL, AC1NEKPG, SureCN220950, SureCN1531772, CTK1J5031, CTK8B4796, 4-(trans-4pentylcyclohexyl)phenol, MolPort-003-011-589, Phenol, 4-(4-pentylcyclohexyl)-, ACT00943, ANW-46259, ZINC02568194, AKOS001483284, AKOS015839697, AK-86423, KB-71711

Molecular Formula: C17H26OMolecular Weight: 246.387740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: QRAZRBGYBYIGRL-UHFFFAOYSA-N

• 4,6-Dichloro-2-Methylsulfonylpyrimidine
IUPAC Name: 4,6-dichloro-2-methylsulfonylpyrimidine | CAS Registry Number: 4489-34-3
Synonyms: NSC45040, ZINC04387318, 4,6-dichloro-2-pyrimidinyl methyl sulfone, AN-584/41028155

Molecular Formula: C5H4Cl2N2O2SMolecular Weight: 227.068460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: DROUVIKCNOHKBA-UHFFFAOYSA-N

• 2,3,4,5-Tetramethyl-2-Cyclopentenone
IUPAC Name: (4S,5R)-2,3,4,5-tetramethylcyclopent-2-en-1-one | CAS Registry Number: 54458-61-6
Synonyms: CID642488, ZINC02003168, ZINC02003169, 2,3,4,5-tetramethylcyclopent-2-en-1-one, 2-cyclopenten-1-one, 2,3,4,5-tetramethyl-, InChI=1/C9H14O/c1-5-6(2)8(4)9(10)7(5)3/h5,7H,1-4H

Molecular Formula: C9H14OMolecular Weight: 138.206860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ARUAYSANQMCCEN-IYSWYEEDSA-N

• (2S)-1,2-Epoxy-3-Phenoxypropane
IUPAC Name: (2S)-2-(phenoxymethyl)oxirane | CAS Registry Number: 71031-03-3
Synonyms: (S)-Glycidyl phenyl ether, (2S)-2-(phenoxymethyl)oxirane, (2R)-1,2-Epoxy-3-Phenoxypropane, (S)-2-Oxiranylanisole, PubChem14082, AC1LTJQ1, (S)-2-(Phenoxymethyl)oxirane, (S)-|A-(2-Oxiranyl)anisole, (S)-alpha-(2-Oxiranyl)anisole, 04855_FLUKA, CTK8E2647, MolPort-003-925-438, ZINC01462352, AKOS006345476, LS30254, AC-18289, AK116200, KB-63599, P611, A804925

Molecular Formula: C9H10O2Molecular Weight: 150.174500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FQYUMYWMJTYZTK-SECBINFHSA-N

• 4-Amino-5,6-dimethoxypyrimidine
IUPAC Name: 5,6-dimethoxypyrimidin-4-amine | CAS Registry Number: 5018-45-1
Synonyms: 5,6-Dimethoxypyrimidin-4-amine, EINECS 225-701-0, CID78722

Molecular Formula: C6H9N3O2Molecular Weight: 155.154560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: OBYHDGNNFIOYSU-UHFFFAOYSA-N

• 3-Bromo-7-azaindole
IUPAC Name: 3-bromo-1H-pyrrolo[2,3-b]pyridine | CAS Registry Number: 74420-15-8
Synonyms: 3-Bromo-1H-pyrrolo[2,3-b]pyridine, 3-Bromo-pyrrolo[2,3-b]pyridine, SBB054700, AG-G-95894, 3-bromopyrrolo[2,3-b]pyridine, PubChem14707, ACMC-209oup, SureCN410624, AC1NV53J, 3-BROMO-7-AZAINDOL, KSC494E0H, CTK3J4203, HIN1675, MolPort-001-757-866, ACN-S002729, ACN-S003171, ACT06503, ANW-36479, WTI-11155, ZINC05763894

Molecular Formula: C7H5BrN2Molecular Weight: 197.032000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VJDGIJDCXIEXPF-UHFFFAOYSA-N

• 2,3-Dimethylbenzenethiol
IUPAC Name: 2,3-dimethylbenzenethiol | CAS Registry Number: 18800-51-6
Synonyms: Thioxylenol, Benzenethiol, dimethyl-, 2,3-Dimethyl Thiophenol, Benzenethiol, 2,3-dimethyl-, EINECS 242-586-2, TL8006789

Molecular Formula: C8H10SMolecular Weight: 138.230000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: NDKJATAIMQKTPM-UHFFFAOYSA-N

• 4-Methylsulfonyl benzoic acid
IUPAC Name: 4-methylsulfonylbenzoic acid | CAS Registry Number: 4052-30-6
Synonyms: 4-(Methylsulfonyl)benzoic acid, 136417_ALDRICH, p-(Methylsulphonyl)benzoic acid, 4-(Methanesulfonyl)benzoic acid, p-(Methylsulfonyl)-benzoic acid, Benzoic acid, 4-(methylsulfonyl)-, Benzoic acid, p-(methylsulfonyl)-, NSC11336, EINECS 223-756-5, ST5319409, TL8006873

Molecular Formula: C8H8O4SMolecular Weight: 200.211720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: AJBWNNKDUMXZLM-UHFFFAOYSA-N

• 3-formyl-1h-indole-4-carboxylic Acid Methyl Ester
IUPAC Name: methyl 3-formyl-1H-indole-4-carboxylate | CAS Registry Number: 53462-88-7
Synonyms: methyl 3-formyl-1H-indole-4-carboxylate, Methyl 3-formylindole-4-carboxylate, 3-FORMYL-1H-INDOLE-4-CARBOXYLIC ACID METHYL ESTER, 3-Formylindole-4-carboxylicacidmethylester, ACMC-1AYP2, CTK4J8107, BB_NC-2048, ACN-S002854, ACT05604, ANW-31761, BBL012846, SBB019332, STK788318, ZINC11919629, AKOS005172479, AG-F-83654, MCULE-9347154857, AK-77234, KB-54135, ST4147963

Molecular Formula: C11H9NO3Molecular Weight: 203.194060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HWQJAOMFBDZMPB-UHFFFAOYSA-N

• 1-AdamantaneCarboxylic acid
IUPAC Name: adamantane-1-carboxylic acid | CAS Registry Number: 828-51-3
Synonyms: Adamantoic acid, 1-Carboxyadamantane, 1-Adamantanecarboxylic acid, Adamantanecarboxylic acid, Adamantane-1-carboxylic acid, Enamine_000586, Adamantane-2-carboxylic acid, Oprea1_849468, 106399_ALDRICH, 3-ADAMANTANECARBOXYLIC ACID, 01823_FLUKA, EINECS 212-584-6, NSC 94182, 1-Adamantanecarboxylic acid (8CI), CID13235, NSC94182, SBB015170, AI3-52431, LS-14967, Tricyclo(3.3.1.1'3,7)decane-1-carboxylic acid

Molecular Formula: C11H16O2Molecular Weight: 180.243540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JIMXXGFJRDUSRO-UHFFFAOYSA-N

• 4-[3-(3-Chloropropionyloxy)propyloxy]benzoic Acid
IUPAC Name: 4-[3-(3-chloropropanoyloxy)propoxy]benzoic acid | CAS Registry Number: 182922-16-3
Synonyms: 4-(3-((3-Chloropropanoyl)oxy)propoxy)benzoic acid, 4-[3-(3-CHLORO-1-OXOPROPOXY)PROPOXY]BENZOIC ACID, AGN-PC-01ZJUO, SureCN2203739, CTK0G9338, ACN-S002644, ANW-66764, AKOS015909836, AK-97082, KB-237739, I14-32007, Benzoic acid, 4-[3-(3-chloro-1-oxopropoxy)propoxy]-

Molecular Formula: C13H15ClO5Molecular Weight: 286.708200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: MYIRBRYPWMAEQC-UHFFFAOYSA-N

• 2'-Hydroxyacetophenone
IUPAC Name: 1-(2-hydroxyphenyl)ethanone | CAS Registry Number: 118-93-4
Synonyms: 2-Acetylphenol, o-Acetylphenol, Acetophenone, 2'-hydroxy-, O-HYDROXYACETOPHENONE, Acetophenone, o-hydroxy-, 1-(2-Hydroxyphenyl)ethanone, Ethanone, 1-(2-hydroxyphenyl)-, USAF KE-20, o-Hydroxyphenyl methyl ketone, 2-Hydroxyphenyl methyl ketone, Methyl 2-hydroxyphenyl ketone, FEMA No. 3548, WLN: QR BV1, H18607_ALDRICH, ACETOPHENONE,2-HYDROXY, W354805_ALDRICH, 54150_FLUKA, EINECS 204-288-0, NSC9263, NSC 16933

Molecular Formula: C8H8O2Molecular Weight: 136.147920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JECYUBVRTQDVAT-UHFFFAOYSA-N

• 5-Chloro-2-nitropyridine
IUPAC Name: 5-chloro-2-nitropyridine | CAS Registry Number: 52092-47-4
Synonyms: 2-Nitro-5-chloropyridine, NCIOpen2_001326, NSC90388, ZINC01580803, C249, TL8003442

Molecular Formula: C5H3ClN2O2Molecular Weight: 158.542520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YUBHMOQVHOODEI-UHFFFAOYSA-N

• (R)-(-)-1,2-Butanediol
IUPAC Name: (2R)-butane-1,2-diol | CAS Registry Number: 40348-66-1
Synonyms: (R)-1,2-BUTANEDIOL, (2R)-butane-1,2-diol, PubChem14093, (R)-butane-1,2-diol, AC1LD1Z5, KSC235O5T, 1,2-Butanediol, (2R)-, CHEBI:52685, CTK1D5759, ZINC02034660, AG-F-42981, LS30249, AK110229, KB-63119, I14-8456, UNII-RUN0H01QEU component BMRWNKZVCUKKSR-SCSAIBSYSA-N, InChI=1/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H, 1,2-Butanediol,(R)-;(-)-1,2-Butanediol;(R)-(-)-1,2-Butanediol;(R)-1,2-Butanediol;

Molecular Formula: C4H10O2Molecular Weight: 90.121000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: BMRWNKZVCUKKSR-SCSAIBSYSA-N

• 3,5-Dimethylthiophenol
IUPAC Name: 3,5-dimethylbenzenethiol | CAS Registry Number: 38360-81-5
Synonyms: 3,5-Dimethylbenzenethiol, Benzenethiol, dimethyl-, Benzenethiol, 3,5-dimethyl-, 3,5-Dimethyl Thiophenol, Xylenethiol, mixed isomers, 522929_ALDRICH, EINECS 247-095-7, EINECS 253-901-8, SB 01213, TL8006791, 25550-52-1

Molecular Formula: C8H10SMolecular Weight: 138.230000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: CESBAYSBPMVAEI-UHFFFAOYSA-N

• 3-Ethylphenol
IUPAC Name: 3-ethylphenol | CAS Registry Number: 620-17-7
Synonyms: m-Ethylphenol, Phenol, 3-ethyl-, Phenol, m-ethyl-, 3-ETHYLPHENOL, meta-Ethylphenol, o-Ethylphenol, 1-Ethyl-3-hydroxybenzene, 1-Hydroxy-3-ethylbenzene, Ambap4380, Benzene, 1-ethyl-3-hydroxy-, Phenol, m-ethyl- (8CI), HSDB 5720, 281417_ALDRICH, 36723_RIEDEL, NSC 8873, 04688_FLUKA, EINECS 210-627-3, NSC8873, ZINC01648289, AI3-19938

Molecular Formula: C8H10OMolecular Weight: 122.164400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HMNKTRSOROOSPP-UHFFFAOYSA-N

• 1-Benzyl-3-piperidinone
IUPAC Name: 1-(phenylmethyl)piperidin-3-one | CAS Registry Number: 40114-49-6
Synonyms: 1-benzylpiperidin-3-one, NSC84168, ALBB-006393, CID96650, 3-Piperidinone, 1-(phenylmethyl)-, ST5406577

Molecular Formula: C12H15NOMolecular Weight: 189.253600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BBQQULRBTOMLTC-UHFFFAOYSA-N

• 2-Fluoro-5-methylsulphonyl
IUPAC Name: 1-fluoro-4-methylsulfonyl-2-nitrobenzene | CAS Registry Number: 453-72-5
Synonyms: NSC226257, ZINC00153767, 2-Fluoro-5-methyl sulfonyl nitrobenzene, ST5307624, TL8006885, T5365016

Molecular Formula: C7H6FNO4SMolecular Weight: 219.190243 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: OUSNDSFSTBZESM-UHFFFAOYSA-N

• 2,2-Difluorocyclopropanecarboxylic Acid Butyl Ester
IUPAC Name: butyl 2,2-difluorocyclopropane-1-carboxylate | CAS Registry Number: 260352-79-2
Synonyms: n-Butyl 2,2-Difluorocyclopropanecarboxylate, Butyl 2,2-difluorocyclopropanecarboxylate, 1-butyl 2,2-difluorocyclopropanecarboxylate, AC1MC4V1, SureCN1593042, CTK8B6652, MolPort-000-160-064, ANW-53895, AKOS006285279, AK-79567, KB-11832, butyl 2,2-difluorocyclopropane-1-carboxylate, FT-0694875

Molecular Formula: C8H12F2O2Molecular Weight: 178.176486 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: JHIWVOJDXOSYLW-UHFFFAOYSA-N

• 4-(methylsulfinyl)benzoic acid
IUPAC Name: 4-[(R)-methylsulfinyl]benzoate | CAS Registry Number: 33963-58-5
Synonyms: ZINC04205248, CID11882180

Molecular Formula: C8H7O3S-Molecular Weight: 183.204380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DTKRTQFUPNGBLZ-GFCCVEGCSA-M

• 4-Nitro-1-naphthol
IUPAC Name: 4-nitronaphthalen-1-ol | CAS Registry Number: 605-62-9
Synonyms: 1-Naphthalenol, 4-nitro-, NSC400336, CID343829, ST5408514

Molecular Formula: C10H7NO3Molecular Weight: 189.167480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AUIRNGLMBHIITH-UHFFFAOYSA-N

• 4-Bromoindole-3-carboxaldehyde
IUPAC Name: 4-bromo-1H-indole-3-carbaldehyde | CAS Registry Number: 98600-34-1
Synonyms: 4-Bromo-3-formylindole, ZINC02563719, SBB005308, B2058G1, CID2763178

Molecular Formula: C9H6BrNOMolecular Weight: 224.054040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IPAFHZDRYAWZOB-UHFFFAOYSA-N

• 4-Fluorophenylthiourea
IUPAC Name: (4-fluorophenyl)thiourea | CAS Registry Number: 459-05-2
Synonyms: N-(4-Fluorophenyl)thiourea, (4-Fluorophenyl)thiourea, 632945_ALDRICH, 1-[p-Fluorophenyl]-2-thiourea, 1-(4-Fluorophenyl)-2-thiourea, ZINC00064840, ST5076851, AF-399/25108015

Molecular Formula: C7H7FN2SMolecular Weight: 170.207283 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: BRWKXKNZRVALNZ-UHFFFAOYSA-N

• 4,4'-Difluorodiphenyl sulphone
IUPAC Name: 1-fluoro-4-(4-fluorophenyl)sulfonylbenzene | CAS Registry Number: 383-29-9
Synonyms: 4-Fluorophenylsulfone, 4-Fluorophenyl sulfone, 4,4'-Difluorodiphenyl sulfone, Sulfone, bis(p-fluorophenyl), Bis(4-fluorophenyl)sulfone, Enamine_005215, Bis(p-fluorophenyl) sulfone, Bis(p-fluorophenyl)sulphone, Bis(4-fluorophenyl) sulfone, Oprea1_616663, 4,4'-Difluorodiphenylsulfone, F15145_ALDRICH, Benzene, 1,1'-sulfonylbis[4-fluoro-, NSC87584, NSC683542, AIDS032695, 1,1'-sulfonylbis(4-fluorobenzene), AIDS-032695, EINECS 206-847-4, NSC 87584

Molecular Formula: C12H8F2O2SMolecular Weight: 254.252526 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: PLVUIVUKKJTSDM-UHFFFAOYSA-N

• 5-Chloro-7-azaindole
IUPAC Name: 5-chloro-1H-pyrrolo[2,3-b]pyridine | CAS Registry Number: 866546-07-8
Synonyms: 5-chloro-1H-pyrrolo[2,3-b]pyridine, SBB054708, AG-H-49521, PubChem14704, AC1Q3KPC, AC1Q3KPD, SureCN294108, KSC494E6R, 5-chloropyrrolo[2,3-b]pyridine, CTK3J4268, HIN1657, MolPort-003-991-787, ACN-S002667, ACN-S003265, ACT06657, ANW-50889, WT1437, WTI-11203, ZINC06643319, AKOS005071996

Molecular Formula: C7H5ClN2Molecular Weight: 152.581000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MFZQJIKENSPRSJ-UHFFFAOYSA-N

• 2-Amino-4'-Chloro Diphenyl Sulfide
IUPAC Name: 2-(4-chlorophenyl)sulfanylaniline | CAS Registry Number: 37750-29-1
Synonyms: 2NH2Ph-S-4ClPh, 07450_FLUKA, 2-[(4-chlorophenyl)thio]aniline, 2-Aminophenyl 4-chlorophenyl sulfide, AIDS005721, AIDS-005721, ALBB-005931, 2-Amino-4'-chloro diphenyl sulfide, CID361297, NSC624237, SBB003248, 2-(4-Chlorophenylthio)aniline solution, NCI60_007290, NSC624237 (HYDROCHLORIDE SALT), TL8006821, 2-((4-Chlorophenyl)thio)aniline hydrochloride

Molecular Formula: C12H10ClNSMolecular Weight: 235.732500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: JZLUOCTZACJYNR-UHFFFAOYSA-N

• 1-(3-Bromophenyl)propan-2-one
IUPAC Name: 1-(3-bromophenyl)propan-2-one | CAS Registry Number: 21906-32-1
Synonyms: 3-Bromophenylacetone, ZINC02558075, SBB005833, CID2734093, TL8001816

Molecular Formula: C9H9BrOMolecular Weight: 213.071160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FQIZFAJMBXZVOL-UHFFFAOYSA-N

• 2-Methyl-3-Nitrobenzoic Acid
IUPAC Name: 2-methyl-3-nitrobenzoic acid | CAS Registry Number: 1975-50-4
Synonyms: 3-Nitro-o-toluic acid, 2-METHYL-3-NITROBENZOIC ACID, Benzoic acid, 2-methyl-3-nitro-, Oprea1_641068, 137847_ALDRICH, 3-Nitro-2-methyl benzoic acid, TPC-B005, TPC-I003, EINECS 217-826-4, CID16096, LS-976, NCGC00091604-01, ST5406632, M-4208, InChI=1/C8H7NO4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3,(H,10,11

Molecular Formula: C8H7NO4Molecular Weight: 181.145480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: YPQAFWHSMWWPLX-UHFFFAOYSA-N

• 4-Fluoro-3-(trifluoromethyl)phenol
IUPAC Name: 4-fluoro-3-(trifluoromethyl)phenol | CAS Registry Number: 61721-07-1
Synonyms: ZINC00164785, 2-Fluoro-5-hydroxybenzotrifluoride, JRD-0275, CID601854, SB 01726

Molecular Formula: C7H4F4OMolecular Weight: 180.099673 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: DHPCRFYUUWAGAH-UHFFFAOYSA-N

• 2-Methylthiophene
IUPAC Name: 2-methylthiophene | CAS Registry Number: 554-14-3
Synonyms: 2-METHYLTHIOPHENE, Thiophene, 2-methyl-, alpha-Methylthiophene, CCRIS 2936, M84208_ALDRICH, EINECS 209-063-0, BRN 0103734, ZINC02034789, AI3-15911, LS-153136, TL8003617, 5-17-01-00324 (Beilstein Handbook Reference), InChI=1/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H

Molecular Formula: C5H6SMolecular Weight: 98.166140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: XQQBUAPQHNYYRS-UHFFFAOYSA-N

• 3-Iodoindole
IUPAC Name: 3-iodo-1H-indole | CAS Registry Number: 26340-47-6
Synonyms: 3-iodo-1H-indole, 3-IODOINDOLE, 1H-Indole, 3-iodo-, 3-jod-1H-indole, SureCN84022, AGN-PC-004D9U, CTK1A1515, FQVDXLYJTMHMCG-UHFFFAOYSA-, MolPort-008-541-518, ACN-S002800, ANW-53909, AKOS016028430, AG-E-82724, QC-9943, KB-32265, A5238, Indole,3-iodo- (6CI,8CI); 3-Iodo-1H-indole; 3-Iodoindole, InChI=1/C8H6IN/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5,10H

Molecular Formula: C8H6INMolecular Weight: 243.044410 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: FQVDXLYJTMHMCG-UHFFFAOYSA-N

• 3-Formylindole-7-Carboxylic Acid Ethyl Ester
IUPAC Name: ethyl 3-formyl-1H-indole-7-carboxylate | CAS Registry Number: 927181-98-4
Synonyms: 3-FORMYLINDOLE-7-CARBOXYLIC ACID ETHYL ESTER, ethyl 3-formyl-1H-indole-7-carboxylate, AGN-PC-01N2GC, CTK5H1632, ACN-S002810, ANW-53919, AKOS016000247, AG-H-79667, 3-Formylindole-7-carboxylicacidethylester, AK-64433, KB-182170, A10950, 1H-Indole-7-carboxylic acid, 3-formyl-, ethyl ester

Molecular Formula: C12H11NO3Molecular Weight: 217.220640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XUTDEDCNVFAAEQ-UHFFFAOYSA-N

• 2-amino-4-(methylsulfonyl)phenol
IUPAC Name: 2-amino-4-methylsulfonylphenol | CAS Registry Number: 98-30-6
Synonyms: CCRIS 5961, Oprea1_483830, Oprea1_545644, 2-Amino-4-(methylsulphonyl)phenol, Phenol, 2-amino-4-(methylsulfonyl)-, 2-AMINO-4-(METHYLSULFONYL)PHENOL, 2-Amino-4-methylsulfonyl;phenol, EINECS 202-654-4, ZINC01509733, LS-2043, 2-AMINO-4-(METHYLSULFONYL) PHENOL, TL8006887

Molecular Formula: C7H9NO3SMolecular Weight: 187.216260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: SFLMBHYNCSYPOO-UHFFFAOYSA-N

• 4-Methylthio benzonitrile
IUPAC Name: 4-methylsulfanylbenzonitrile | CAS Registry Number: 21382-98-9
Synonyms: 4-(Methylthio)benzonitrile, 4-(Methylsulfanyl)benzonitrile, SBB058371, 4-methylthiobenzenecarbonitrile, ZINC00157122, PubChem10528, p-Methylthio benzonitrile, ACMC-1CR7A, 4-methylsulfanylbenzonitrile, AC1LBY10, SureCN1145161, 4-methylsulfanyl-benzonitrile, 279684_ALDRICH, CTK3J0701, 4-methylsulfanylbenzenecarbonitrile, MolPort-002-462-147, STL253599, AKOS008969313, AG-E-56650, MCULE-7343578128

Molecular Formula: C8H7NSMolecular Weight: 149.212880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RPVGEEHGKIFQFO-UHFFFAOYSA-N

• 5-Nitrovanillin
IUPAC Name: 4-hydroxy-3-methoxy-5-nitrobenzaldehyde | CAS Registry Number: 6635-20-7
Synonyms: Vanillin, 5-nitro-, Oprea1_286369, N28000_ALDRICH, CHEBI:48385, NSC16932, NSC35352, EINECS 229-633-2, 4-Hydroxy-3-methoxy-5-nitrobenzaldehyde, Benzaldehyde, 4-hydroxy-3-methoxy-5-nitro-, 3-methoxy-4-hydroxy-5-nitrobenzaldehyde, 4-hydroxy-3-nitro-5-methoxybenzaldehyde, 4-hydroxy-3-methoxy-5-nitro-benzaldehyde, ST5192173, AQ-776/40900925, InChI=1/C8H7NO5/c1-14-7-3-5(4-10)2-6(8(7)11)9(12)13/h2-4,11H,1H

Molecular Formula: C8H7NO5Molecular Weight: 197.144880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: ZEHYRTJBFMZHCY-UHFFFAOYSA-N

• 4-Bromotriphenylamine
IUPAC Name: 4-bromo-N,N-diphenylaniline | CAS Registry Number: 36809-26-4
Synonyms: 4-bromo-N,N-diphenylaniline, (4-Bromo-phenyl)-diphenyl-amine, (4-Bromophenyl)diphenylamine, 4-bromo triphenylamine, 4-BROMOPHENYL DIPHENYLAMINE, benzenamine, 4-bromo-N,N-diphenyl-, ST51043762, PubChem6989, ACMC-209iou, AC1LD5WH, SureCN24576, AGN-PC-0CX4A2, (4-bromophenyl)-diphenyl-amine, 643831_ALDRICH, CTK5I7458, MolPort-002-500-194, ACN-S002656, ACT04870, ANW-28492, ZINC05589702

Molecular Formula: C18H14BrNMolecular Weight: 324.214460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SQTLUXJWUCHKMT-UHFFFAOYSA-N

• 2-Trifluoromethyl Pyridine
IUPAC Name: 2-(trifluoromethyl)pyridine | CAS Registry Number: 368-48-9
Synonyms: 2-(CF3)-pyridine, 2-(Trifluoromethyl)pyridine, 643572_ALDRICH, Pyridine, 2-(trifluoromethyl)-, ZINC02578102, 2-(1,1,1-Trifluoromethyl)pyridine, CID136199, alpha,alpha,alpha-Trifluoro-2-picoline, 3S103695, 3S210878

Molecular Formula: C6H4F3NMolecular Weight: 147.097870 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ATRQECRSCHYSNP-UHFFFAOYSA-N

• (S)-1-Benzyloxy-2-propanol
IUPAC Name: (2S)-1-phenylmethoxypropan-2-ol | CAS Registry Number: 85483-97-2
Synonyms: (S)-(+)-1-Benzyloxy-2-propanol, (S)-1-O-Benzylpropylene glycol, (S)-1-(benzyloxy)propan-2-ol, SureCN2181772, 650838_ALDRICH, CTK5F5107, MolPort-003-938-276, ZINC00394064, LS30228, 2-Propanol,1-(phenylmethoxy)-, (2S)-, AK116197, KB-210697, I01-7432

Molecular Formula: C10H14O2Molecular Weight: 166.216960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KJBPYIUAQLPHJG-VIFPVBQESA-N


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