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Profile: The New Century Chemical & Pharmaceutical Enterprise offers 5-hydroxymethylfurfural, 2-methyl-2-propanethiol, ursolic acid, 2-formyl-3,4-dihydro-2H-pyran, 4-bromo-3-nitrobenzotrifluoride, 3-methoxy-5-(trifluoromethyl)aniline, 4-bromo-1-fluoro-2-nitrobenzene, artemisin and isonipecotic acid.

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• Methyl 4-piperidinecarboxylate
IUPAC Name: methyl piperidine-4-carboxylate;hydrochloride | CAS Registry Number: 2971-79-1
Synonyms: methyl piperidine-4-carboxylate hydrochloride, 7462-86-4, methyl isonipecotate hydrochloride, methyl piperidine-4-carboxylate hcl, SBB054004, methyl piperidine-4-carboxylate hcl salt, methyl 4-piperidinecarboxylate hydrochloride, Piperidine-4-carboxylic acid methyl ester hydrochloride, methyl piperidine-4-carboxylate, chloride, PubChem7745, SureCN774514, AC1Q3BX3, CTK6J0912, methyl 4-piperidinecarboxylate hcl, MolPort-001-815-125, methyl isonipecotinate hydrochloride, ACT10169, methyl 4-piperidinecarboxylate, hcl, ANW-42580, NSC402200

Molecular Formula: C7H14ClNO2Molecular Weight: 179.644560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XAVNWNCTXQDFLF-UHFFFAOYSA-N

• Methyl 6-aminonicotinate
IUPAC Name: methyl 6-aminopyridin-1-ium-3-carboxylate | CAS Registry Number: 36052-24-1
Synonyms: ZINC00167664, CID6933770

Molecular Formula: C7H9N2O2+Molecular Weight: 153.158560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JACPDLJUQLKABC-UHFFFAOYSA-O

• Methyl Cyclopropane Carboxylate
IUPAC Name: methyl cyclopropanecarboxylate | CAS Registry Number: 2868-37-3
Synonyms: Methyl cyclopropanecarboxylate, MCPC, M40405_ALDRICH, 482110_ALDRICH, Cyclopropanecarboxylic acid, methyl ester, EINECS 220-690-9, ZINC00164516, AI3-27233, LS-58754

Molecular Formula: C5H8O2Molecular Weight: 100.115820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PKAHQJNJPDVTDP-UHFFFAOYSA-N

• Methyl-3-cyclopentene-1-carboxylate
IUPAC Name: methyl cyclopent-3-ene-1-carboxylate | CAS Registry Number: 58101-60-3
Synonyms: Methyl 3-cyclopentenecarboxylate, Methyl Cyclopent-3-ene-1-carboxylate, Methyl cyclopent-3-enecarboxylate, AG-G-05437, METHYL-3-CYCLOPENTENE-1-CARBOXYLATE, AC1LTSWU, ACMC-209m2j, SureCN637275, Methyl3-cyclopentenecarboxylate, CTK5A7852, MolPort-000-004-597, 4-(Methoxycarbonyl)cyclopent-1-ene, ACN-S004307, Methyl3-cyclopentene-1-carboxylate;, AC-589, ANW-32873, GEO-02841, ZINC01435881, AKOS006280752, AK-47556

Molecular Formula: C7H10O2Molecular Weight: 126.153100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CEOILRYKIJRPBZ-UHFFFAOYSA-N

• Methylurea
IUPAC Name: methylurea | CAS Registry Number: 598-50-5
Synonyms: N-Methylurea, METHYLUREA, Monomethylurea, Urea, methyl-, 1-Methylurea, Methyl urea, urea, N-methyl-, Methylmocovina [Czech], Methylharnstoff [German], M86804_ALDRICH, CCRIS 9137, 67090_FLUKA, EINECS 209-935-0, AIDS003653, AIDS-003653, c1176, ZINC05209166, AI3-15088, LS-160454, C16363

Molecular Formula: C2H6N2OMolecular Weight: 74.081840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: XGEGHDBEHXKFPX-UHFFFAOYSA-N

• N,N'-Dimethyl-1,2-Ethanediamine
IUPAC Name: N,N'-dimethylethane-1,2-diamine | CAS Registry Number: 110-70-3
Synonyms: 2,5-Diazahexane, Dimethylethylenediamine, N,N'-Dimethylethylenediamine, 1,2-Bis(methylamino)ethane, sym-Dimethylethylenediamine, N,N'-Dimethyldiaminoethane, N,N'-Dimethylethanediamine, 1,2-Ethanediamine, N,N'-dimethyl-, D157805_ALDRICH, ETHYLENEDIAMINE, N,N'-DIMETHYL-, 270032_ALDRICH, N,N'-Dimethyl-1,2-ethanediamine, EINECS 203-793-3, CID8070, N,N'-dimethylethane-1,2-diamine, AIDS018830, AIDS-018830, BRN 0878142, 1,2-Ethanediamine, N1,N2-dimethyl-, AI3-26668

Molecular Formula: C4H12N2Molecular Weight: 88.151480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: KVKFRMCSXWQSNT-UHFFFAOYSA-N

• N,N-Dimethylformamide dimethyl acetal
IUPAC Name: 1,1-dimethoxy-N,N-dimethylmethanamine | CAS Registry Number: 4637-24-5
Synonyms: 1,1-Dimethoxytrimethylamine, Trimethylamine, 1,1-dimethoxy-, Dimethylformamide-dimethylacetal, 140732_ALDRICH, 394963_ALDRICH, Methanamine, 1,1-dimethoxy-N,N-dimethyl-, EINECS 225-063-3, 1,1-dimethoxy-N,N-dimethylmethanamine, 1,1-Dimethoxy-N,N-dimethylmethylamine, SB 00604, TL8003205, D-5200, InChI=1/C5H13NO2/c1-6(2)5(7-3)8-4/h5H,1-4H

Molecular Formula: C5H13NO2Molecular Weight: 119.162220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZSXGLVDWWRXATF-UHFFFAOYSA-N

• N-Boc-4-Carbethoxy Piperidine
IUPAC Name: 1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate | CAS Registry Number: 142851-03-4
Synonyms: Ethyl N-Boc-piperidine-4-carboxylate, 1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate, Dimethylethyl piperidinedicarboxylic acid ethyl ester, ethyl 1-boc-piperidine-4-carboxylate, SBB054002, 1-Boc-piperidine-4-carboxylicacidethylester, 1-(tert-butyl) 4-ethyl tetrahydro-1,4(2h)-pyridinedicarboxylate, 1-boc-piperidine-4-carboxylic acid ethyl ester, Ethyl 1-tert-Butoxycarbonylpiperidine-4-carboxylate, Piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester, ethyl 1-[(tert-butyl)oxycarbonyl]piperidine-4-carboxylate, ZINC00153435, AC1MBYZW, PubChem11350, PubChem11465, ethyl n-boc-isonipecotate, ACMC-209cp6, SureCN337418, 1-boc-4-carbethoxypiperidine, KSC174E9F

Molecular Formula: C13H23NO4Molecular Weight: 257.326020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MYHJCTUTPIKNAT-UHFFFAOYSA-N

• N-Boc-Piperidine-4-carboxylic acid methyl ester
IUPAC Name: 1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate | CAS Registry Number: 124443-68-1
Synonyms: NSC693923, AIDS151872, AIDS-151872, ALBB-006379, ZINC01433131, NCI60_033612, 1-tert-Butyl 4-methyl 1,4-piperidinedicarboxylate, 9W-0607, 1-tert-butyl 4-methyl piperidine-1,4-dicarboxylate

Molecular Formula: C12H21NO4Molecular Weight: 243.299440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: PTZNCCIULVXFIJ-UHFFFAOYSA-N

• Ortho Amino Para Picoline
IUPAC Name: 6-methylpyridin-2-amine | CAS Registry Number: 1824-81-3
Synonyms: 6-Amino-2-picoline, 2-Amino-6-picoline, 2-Amino-6-methylpyridine, 2-Pyridinamine, 6-methyl-, 2-Picoline, 6-amino-, 6-Methyl-2-pyridinamine, 6-Methyl-2-pyridylamine, 6-Amino-2-methylpyridine, 6-Methyl-2-aminopyridine, 6-methylpyridin-2-amine, WLN: T6NJ BZ F1, A75706_ALDRICH, PYRIDINE, 2-AMINO-6-METHYL-, NSC 1488, NSC 6971, EINECS 217-360-1, 2-Picoline, 6-amino- (8CI), NSC1488, NSC6971, BRN 0107048

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

InChIKey: QUXLCYFNVNNRBE-UHFFFAOYSA-N

• Paeoniflorin
Synonyms: Paeonia moutan, Paeony root, Ambap3981, AIDS002238, AIDS-002238, NSC178886, C09959, .beta.-D-Glucopyranoside, (1aR,2S,3aR,5R,5aR,5bS)-5b-[(benzoyloxy)methyl]tetrahydro-5-hydroxy-2-methyl-2,5-methano-1H-3,4-dioxacyclobuta[cd]pentalen-1a(2H)-yl

Molecular Formula: C23H28O11Molecular Weight: 480.461820 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 11

InChIKey: YKRGDOXKVOZESV-WRJNSLSBSA-N

• Phenyl vinyl sulfone
IUPAC Name: ethenylsulfonylbenzene | CAS Registry Number: 5535-48-8
Synonyms: Sulfone, phenyl vinyl, vinylsulfonyl-benzene, Phenyl vinyl sulphone, Benzene, (ethenylsulfonyl)-, 241717_ALDRICH, 79292_FLUKA, 79293_FLUKA, URI 744, NSC35394, EINECS 226-890-2, ZINC00391881, TL8006881

Molecular Formula: C8H8O2SMolecular Weight: 168.212920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UJTPZISIAWDGFF-UHFFFAOYSA-N

• Puerarin
IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one | CAS Registry Number: 3681-99-0
Synonyms: NPI-31G, P5555_SIGMA, 82435_FLUKA, CID5281807, C10524, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one

Molecular Formula: C21H20O9Molecular Weight: 416.378100 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 9

InChIKey: HKEAFJYKMMKDOR-VPRICQMDSA-N

• Pyridine-3,4-dicarboxylic anhydride
IUPAC Name: furo[3,4-c]pyridine-1,3-dione | CAS Registry Number: 4664-08-8
Synonyms: Cinchomeronic anhydride, 3,4-Pyridinedicarboxylic anhydride, 282715_ALDRICH, Furo[3,4-c]pyridine-1,3-dione, NSC127964, AIDS046721, AIDS-046721, RDP 00107, ZINC08100888, EC-000.1422, AC-907/25014353

Molecular Formula: C7H3NO3Molecular Weight: 149.103620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KFKMGUPDWTWQFM-UHFFFAOYSA-N

• Salvianolic acid B
IUPAC Name: 3-(3,4-dihydroxyphenyl)-2-[(2R,3R)-2-(3,4-dihydroxyphenyl)-4-[(E)-3-[(2R)-3-(3,4-dihydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-enyl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-carbonyl]oxypropanoic acid | CAS Registry Number: 115939-25-8
Synonyms: Lithospermic acid B, CID6441188, C076944, (2R-(2alpha,3beta(R*),4(E(R*))))-3-(1-Carboxy-2-(3,4-dihydroxyphenyl)ethyl) 4-(3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylate, 3-Benzofurancarboxylic acid, 4-(3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxo-1-propenyl)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-, 3-(1-carboxy-2-(3,4-dihydroxyphenyl)ethyl) ester, (2R-(2alpha,3beta(R*),4(E(R*))))-

Molecular Formula: C36H30O16Molecular Weight: 718.613800 [g/mol]
H-Bond Donor: 9H-Bond Acceptor: 16

InChIKey: SNKFFCBZYFGCQN-RDHSGEKBSA-N

• tert-Butyl carbamate
IUPAC Name: tert-butyl carbamate | CAS Registry Number: 4248-19-5
Synonyms: Boc-amide, T-butyl carbamate, 167398_ALDRICH, 21759_FLUKA, Carbamic acid, 1,1-dimethylethyl ester, CID77922, EINECS 224-209-3, NSC131089, ZINC00388418, TL8003021, BOC

Molecular Formula: C5H11NO2Molecular Weight: 117.146340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LFKDJXLFVYVEFG-UHFFFAOYSA-N

• Ursolic acid
IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid | CAS Registry Number: 77-52-1
Synonyms: Prunol, Malol, Urson, Merotaine, 3-epi-ursolic acid, .beta.-Ursolic acid, Prestwick3_000089, CCRIS 7123, BSPBio_000018, MLS000728569, MLS002154196, U6753_SIGMA, NSC4060, BPBio1_000020, CHEBI:9908, 3beta-Hydroxyurs-12-en-28-oic acid, NSC 4060, 89797_FLUKA, EINECS 201-034-0, TOS-BB-0966

Molecular Formula: C30H48O3Molecular Weight: 456.700320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WCGUUGGRBIKTOS-GPOJBZKASA-N

• Vinyl Sulphone
IUPAC Name: 1-ethenylsulfonylethene | CAS Registry Number: 77-77-0
Synonyms: Divinyl sulfone, Divinyl sulphone, VINYL SULFONE, Sulfone, divinyl-, Bis(ethenyl)sulfone, Ethene, 1,1'-sulfonylbis-, 1,1'-Sulphonylbisethene, Vinyl sulfone (8CI), 1,1'-sulfonyldiethylene, CCRIS 4349, V3700_ALDRICH, HSDB 2028, WLN: 1U1SW1U1, TL 797, EINECS 201-057-6, NSC 18590, NSC18590, NSC57304, BRN 1071329, ZINC01561509

Molecular Formula: C4H6O2SMolecular Weight: 118.154240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AFOSIXZFDONLBT-UHFFFAOYSA-N

• 2-Allylphenol
IUPAC Name: 2-prop-2-enylphenol | CAS Registry Number: 1745-81-9
Synonyms: 2-ALLYLPHENOL, o-Allylphenol, Phenol, o-allyl-, (2-Propenyl)phenol, 2-allylphenol sodium, 2-(2-Propenyl)phenol, Phenol, 2-(2-propenyl)-, 2-allylphenol potassium, 2-prop-2-en-1-ylphenol, Phenol, (2-propenyl)-, WLN: QR B2U1, A34805_ALDRICH, NSC 1538, EINECS 217-119-0, NSC1538, AIDS017741, BB_SC-1155, 1-ALLYL,2-HYDROXY-BENZENE, AIDS-017741, BRN 0742121

Molecular Formula: C9H10OMolecular Weight: 134.175100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: QIRNGVVZBINFMX-UHFFFAOYSA-N

• 4-Hydroxy-2,6-dimethoxybenzaldehyde
IUPAC Name: 4-hydroxy-2,6-dimethoxybenzaldehyde | CAS Registry Number: 22080-96-2
Synonyms: 392936_ALDRICH, ZINC02379824, 2,6-Dimethoxy-4-hydroxybenzaldehyde, CID529894, SBB008640, FR-2359, Ethanal, 2-(4-hydroxy-2,6-dimethoxyphenyl), InChI=1/C9H10O4/c1-12-8-3-6(11)4-9(13-2)7(8)5-10/h3-5,11H,1-2H

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HZWPJAZIRZFCGX-UHFFFAOYSA-N

• 2,2'-Bithiophene
IUPAC Name: 2-thiophen-2-ylthiophene | CAS Registry Number: 492-97-7
Synonyms: Dithienyl, 2,2'-Bithienyl, 2,2'-Dithienyl, 2,2'-Dithiophene, 241636_ALDRICH, 15267_FLUKA, CHEBI:36821, CID68120, EINECS 207-767-2, SBB012366, ZINC00108094

Molecular Formula: C8H6S2Molecular Weight: 166.263240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: OHZAHWOAMVVGEL-UHFFFAOYSA-N

• 4-Azaindole
IUPAC Name: 1H-pyrrolo[3,2-b]pyridine | CAS Registry Number: 272-49-1
Synonyms: 4-AZAINDOLE, 1,4-Diazaindene, Ambad403, 1H-Pyrrolo(3,2-b)pyridine, BRN 0109683, CID9226, LS-139468, TL8002199, A-9485, 5-23-06-00303 (Beilstein Handbook Reference)

Molecular Formula: C7H6N2Molecular Weight: 118.135940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XWIYUCRMWCHYJR-UHFFFAOYSA-N

• 4-Amino-3-chlorobenzonitrile
IUPAC Name: 4-amino-3-chlorobenzonitrile | CAS Registry Number: 21803-75-8
Synonyms: 519596_ALDRICH, ZINC00157168, CID519896, SEW 01283, D1251

Molecular Formula: C7H5ClN2Molecular Weight: 152.581000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OREVCMGFYSUYPX-UHFFFAOYSA-N

• 4-Chlorothiobenzamide
IUPAC Name: 4-chlorobenzenecarbothioamide | CAS Registry Number: 2521-24-6
Synonyms: p-Chlorobenzothiamide, p-Chlorothiobenzamide, WLN: SUYZR DG, Benzamide, p-chlorothio-, Benzenecarbothioamide, 4-chloro-, Benzamide, p-chlorothio- (8CI), AIDS009544, AIDS-009544, NSC179795, NSC195318, SBB016508, ZINC00164471, NSC 179795, NSC 195318, Benzenecarbothioamide, 4-chloro- (9CI)

Molecular Formula: C7H6ClNSMolecular Weight: 171.647240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: OKPUICCJRDBRJT-UHFFFAOYSA-N

• 2,5-Di(trifluoromethyl)aniline
IUPAC Name: 2,5-bis(trifluoromethyl)aniline | CAS Registry Number: 328-93-8
Synonyms: Enamine_005232, 331546_ALDRICH, 15228_FLUKA, 2,5-Bis(trifluoromethyl)aniline, ZINC00120651, CID719818, SBB000691, IDI1_007819

Molecular Formula: C8H5F6NMolecular Weight: 229.122419 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: XWMVIJUAZAEWIE-UHFFFAOYSA-N

• 3-(3-Fluorophenyl)propionic acid
IUPAC Name: 3-(3-fluorophenyl)propanoic acid | CAS Registry Number: 458-45-7
Synonyms: 3-(3-fluorophenyl)propanoic acid, 3-Fluorohydrocinnamic acid, 3-(3-Fluoro-phenyl)-propionic acid, SBB010231, AG-F-58474, ZERO/004851, PubChem13947, AC1MC7DZ, ACMC-209k4f, SureCN334758, 655252_ALDRICH, AC1Q758V, Benzenepropanoic acid,3-fluoro-, CTK4I8973, MolPort-000-155-904, 3-(3-fluorophenyl)-propanoic acid, AC1Q7585, ANW-30349, GEO-01431, STK689316

Molecular Formula: C9H9FO2Molecular Weight: 168.164963 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UBLMRADOKLXLCD-UHFFFAOYSA-N

• 6-Aminonicotinic Acid
IUPAC Name: 6-aminopyridine-3-carboxylic acid | CAS Registry Number: 3167-49-5
Synonyms: 6-Aminonicotinic acid, Nicotinic acid, 6-amino-, 6-Amino Nicotinic Acid, 3-Pyridinecarboxylic acid, 6-amino-, TPC-PY079, 2-Amino-5-pyridinecarboxylic acid, 216879_ALDRICH, 6-Aminopyridine-3-carboxylic acid, Nicotinic acid, 6-amino- (8CI), ALBB-005967, EINECS 221-630-4, NSC229361, SBB004186, ZINC00334127, 2-AMINO-5-CARBOXAMIDE PYRIDINE, NSC 229361, A182, AI-942/25034199, InChI=1/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10, 5336-87-8

Molecular Formula: C6H6N2O2Molecular Weight: 138.124040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ZCIFWRHIEBXBOY-UHFFFAOYSA-N

• 8-Bromooctanoic Acid
IUPAC Name: 8-bromooctanoic acid | CAS Registry Number: 17696-11-6
Synonyms: 8-Bromooctanoic acid, 8-Bromocaprylic acid, Octanoic acid, 8-bromo-, omega-BROMOCAPRYLIC ACID, 257583_ALDRICH

Molecular Formula: C8H15BrO2Molecular Weight: 223.107500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BKJFDZSBZWHRNH-UHFFFAOYSA-N

• 4,4'-Bipyridine
IUPAC Name: 4-pyridin-4-ylpyridine | CAS Registry Number: 553-26-4
Synonyms: 4,4'-Bipyridyl, 4,4'-Dipyridine, Bipyridine, 4,4-Bipyridyl, 4,4-Dipyridyl, 4-(4-Pyridyl)pyridine, gamma,gamma'-Bipyridyl, gamma,gamma'-Dipyridyl, 4,4'-DIPYRIDYL, 4,4-Bipyridin, 4,4'-Dipyridyl hydrate, nchem.100-comp11, .gamma.,.gamma.'-Bipyridyl, Maybridge3_006249, Dopamine Nmethyltransferase, 4,4'-bpy, CCRIS 2363, .gamma.,.gamma.'-Dipyridyl, CBDivE_014486, MLS000702205

Molecular Formula: C10H8N2Molecular Weight: 156.183920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MWVTWFVJZLCBMC-UHFFFAOYSA-N

• 4-Amino-3-hydroxybenzoic acid
IUPAC Name: 4-amino-3-hydroxybenzoic acid | CAS Registry Number: 2374-03-0
Synonyms: 2hdr, nchembio831-compF2, Ambap4864, 339598_ALDRICH, benzoic acid, 4-amino-3-hydroxy-, NSC407243, InChI=1/C7H7NO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,8H2,(H,10,11, 4A3

Molecular Formula: C7H7NO3Molecular Weight: 153.135380 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: NFPYJDZQOKCYIE-UHFFFAOYSA-N

• 4-Bromo-2-fluoronitrobenzene
IUPAC Name: 4-bromo-2-fluoro-1-nitrobenzene | CAS Registry Number: 321-23-3
Synonyms: 4-Bromo-2-fluoro-1-nitrobenzene, 2-Fluoro-4-bromonitrobenzene, 4-bromo-2-fluoronitrobenzene, 4-bromo-2-fluoro-1-nitro-benzene, 5-BROMO-2-NITROFLUOROBENZENE, SBB062998, AG-F-07227, 1-BROMO-3-FLUORO-4-NITROBENZENE, PubChem2226, SureCN6619, AC1MD4CZ, ACMC-209hr8, KSC497K4P, 680931_ALDRICH, 681679_ALDRICH, Jsp005954, CTK3J7547, MolPort-001-771-592, WT068, 4-BROMO-2-FLUORNITROBENZOLE

Molecular Formula: C6H3BrFNO2Molecular Weight: 219.995923 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VQCWSOYHHXXWSP-UHFFFAOYSA-N

• 4-Bromo-1-fluoro-2-nitrobenzene
IUPAC Name: 4-bromo-1-fluoro-2-nitrobenzene | CAS Registry Number: 364-73-8
Synonyms: 539112_ALDRICH, ZINC02582087, CID2736328

Molecular Formula: C6H3BrFNO2Molecular Weight: 219.995923 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UQEANKGXXSENNF-UHFFFAOYSA-N

• 1,3-cyclopentanedione
IUPAC Name: cyclopentane-1,3-dione | CAS Registry Number: 3859-41-4
Synonyms: 1,3-Cyclopentanedione, 1,3-Cyclopentadione, Cyclopentane-1,3-dione, 1.3-CYCLOPENTANEDIONE, Maleimide-Related Compound 12, 177164_ALDRICH, CHEBI:41456, CID77466, EINECS 223-372-8, NSC364015, FR-2372, SL-00438, TL8002813, CEJ

Molecular Formula: C5H6O2Molecular Weight: 98.099940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LOGSONSNCYTHPS-UHFFFAOYSA-N

• 2-Chloro-4-hydroxybenzoic acid hydrate
IUPAC Name: 2-chloro-4-hydroxybenzoic acid | CAS Registry Number: 56363-84-9
Synonyms: 2-Chloro-4-hydroxybenzoic acid, Benzoic acid, 2-chloro-4-hydroxy-, EINECS 260-132-1, SBB003833, FR-2358

Molecular Formula: C7H5ClO3Molecular Weight: 172.565800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WIPYZRZPNMUSER-UHFFFAOYSA-N

• 3-Methyl-4-nitroaniline
IUPAC Name: 3-methyl-4-nitroaniline | CAS Registry Number: 611-05-2
Synonyms: 4-Nitro-m-toluidine, 3-METHYL-4-NITROANILINE, Benzenamine, 3-methyl-4-nitro-, NSC17041, ZERO/009745, EINECS 210-247-8, ZINC04366989

Molecular Formula: C7H8N2O2Molecular Weight: 152.150620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XPAYEWBTLKOEDA-UHFFFAOYSA-N

• 3-Hydroxy-4-Nitro Benzoic Acid
IUPAC Name: 3-hydroxy-4-nitrobenzoic acid | CAS Registry Number: 619-14-7
Synonyms: 3-Hydroxy-4-nitrobenzoic acid, 4-Nitro-3-hydroxybenzoic acid, H48409_ALDRICH, NSC46823, 55970_FLUKA, CID69265, EINECS 210-580-9, SB 01945, TL806454, ST5406352, InChI=1/C7H5NO5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H,(H,10,11

Molecular Formula: C7H5NO5Molecular Weight: 183.118300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: XLDLRRGZWIEEHT-UHFFFAOYSA-N

• 2-Methyl-2-Propanethiol
IUPAC Name: 2-methylpropane-2-thiol | CAS Registry Number: 75-66-1
Synonyms: tert-Butanethiol, tert-Butylthiol, t-Butylmercaptan, 2-Isobutanethiol, tert-Butyl mercaptan, tert-Butylmercaptan, 2-Propanethiol, 2-methyl-, 2-Methyl-2-propanethiol, 2-Methylpropane-2-thiol, tertiary-Butyl mercaptan, 1,1-Dimethylethanethiol, T-BUTYL MERCAPTAN, HSDB 1611, 109207_ALDRICH, 20230_FLUKA, EINECS 200-890-2, CID6387, BRN 0505947, NSC229569, ZINC04706566

Molecular Formula: C4H10SMolecular Weight: 90.187200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: WMXCDAVJEZZYLT-UHFFFAOYSA-N

• 4-Bromoisatin
IUPAC Name: 4-bromo-1H-indole-2,3-dione | CAS Registry Number: 20780-72-7
Synonyms: 4-bromo-1H-indole-2,3-dione, ZINC02509229, ALBB-002982, CID4500012, ST5437187

Molecular Formula: C8H4BrNO2Molecular Weight: 226.026860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ITRAKBJPMLKWIW-UHFFFAOYSA-N

• 2,6-Difluoro-4-bromoiodobenzene
IUPAC Name: 5-bromo-1,3-difluoro-2-iodobenzene | CAS Registry Number: 160976-02-3
Synonyms: 4-bromo-2,6-difluoroiodobenzene, 5-Bromo-1,3-difluoro-2-iodobenzene, 2,6-difluoro-4-bromoiodobenzene, ACMC-1C7AZ, AC1MD2W7, SureCN6687144, KSC498A9H, CTK3J8093, MolPort-001-776-732, ANW-21905, PC6449, ZINC02575682, 1-Bromo-3,5-difluoro-4-iodobenzene, 4-bromo-2,6 difluoro-1-iodobenzene, AKOS005254968, 5-Bromo-1,3-difluoro-2-iodobenzene,, 5-Bromo-1,3-difluoro-2-iodobenzene;, AG-E-10602, AM61337, AK-63268

Molecular Formula: C6H2BrF2IMolecular Weight: 318.885356 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NLWAKVGODLJALJ-UHFFFAOYSA-N

• 1,1-Dimethylurea
IUPAC Name: 1,1-dimethylurea | CAS Registry Number: 598-94-7
Synonyms: N,N-Dimethylurea, asym-Dimethylurea, Urea, N,N-dimethyl-, sym-Dimethylurea, Dimethylurea, Urea, dimethyl-, Urea, 1,1-dimethyl-, 1,1-DIMETHYLUREA, 1.1-Dimethylurea, N,N-Dimethylharnstoff, N,N-Dimethylharnstoff [German], HSDB 4273, 261394_ALDRICH, EINECS 209-957-0, N,N'-DIMETHYLUREA, PRACT, NSC 33603, ZINC01665828, CID11737, NSC33603, BRN 1740666

Molecular Formula: C3H8N2OMolecular Weight: 88.108420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: YBBLOADPFWKNGS-UHFFFAOYSA-N

• 2,4-dichloro-5-nitropyrimidine
IUPAC Name: 2,4-dichloro-5-nitropyrimidine | CAS Registry Number: 49845-33-2
Synonyms: nchembio826-comp4, Ambap3662, 2,4-Dichloro-5-nitropyrimidine, 658340_ALDRICH, 3-Nitro-2,4-dichloropyrimidine, 2,4-Dichloro-5-nitro-pyrimidine, ZINC02023569, CID521266, Pyrimidine, 2,4-dichloro-5-nitro-, TL806384, AC-907/25004262

Molecular Formula: C4HCl2N3O2Molecular Weight: 193.975640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: INUSQTPGSHFGHM-UHFFFAOYSA-N

• 2-Fluoro-5-nitrobenzonitrile
IUPAC Name: 2-fluoro-5-nitrobenzonitrile | CAS Registry Number: 17417-09-3
Synonyms: 544221_ALDRICH, ZINC00167117, CID519417, ST5406879, TL80074087

Molecular Formula: C7H3FN2O2Molecular Weight: 166.109323 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: YLACBMHBZVYOAP-UHFFFAOYSA-N

• 5-Bromo-2-fluorobenzonitrile
IUPAC Name: 5-bromo-2-fluorobenzonitrile | CAS Registry Number: 179897-89-3
Synonyms: 465259_ALDRICH, ZINC00155138, ST5319387, TL800742030, InChI=1/C7H3BrFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3

Molecular Formula: C7H3BrFNMolecular Weight: 200.007823 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GYCNHFWRPJXTSB-UHFFFAOYSA-N

• 2-Amino-thiobenzamide
IUPAC Name: 2-aminobenzenecarbothioamide | CAS Registry Number: 2454-39-9
Synonyms: Thioanthranilamide, o-Aminothiobenzamide, 2-Aminothiobenzamide, Benzamide, o-aminothio-, Benzenecarbothioamide, 2-amino-, NSC53310, ZINC01684445, T5421516

Molecular Formula: C7H8N2SMolecular Weight: 152.216820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: HPZKAJRFABCGFF-UHFFFAOYSA-N

• 2-Amino-4-methylbenzonitrile
IUPAC Name: 2-amino-4-methylbenzonitrile | CAS Registry Number: 26830-96-6
Synonyms: 214280_ALDRICH, ZINC04272117, EINECS 248-020-0, CID2801276, TL 00552, TL80074083, InChI=1/C8H8N2/c1-6-2-3-7(5-9)8(10)4-6/h2-4H,10H2,1H

Molecular Formula: C8H8N2Molecular Weight: 132.162520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LGNVAEIITHYWCG-UHFFFAOYSA-N

• 4-Bromo-3-nitrobenzotrifluoride
IUPAC Name: 1-bromo-2-nitro-4-(trifluoromethyl)benzene | CAS Registry Number: 349-03-1
Synonyms: 365777_ALDRICH, 3-Nitro-4-bromobenzotrifluoride, JRD-0315, CID520706, SBB009903, ZINC00056813, TL8002603, Toluene, 4-bromo-3-nitro-alpha,alpha,alpha-trifluoro-

Molecular Formula: C7H3BrF3NO2Molecular Weight: 270.003430 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: PESPBNYBZVIGRO-UHFFFAOYSA-N

• 2,4-Dibromothiazole
IUPAC Name: 2,4-dibromo-1,3-thiazole | CAS Registry Number: 4175-77-3
Synonyms: sOxLLLQACqDfWMijP@, 677914_ALDRICH, ZINC02245232, D2472G1

Molecular Formula: C3HBr2NSMolecular Weight: 242.919740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MKEJZKKVVUZXIS-UHFFFAOYSA-N

• 4-Chloro-3-ethylphenol
IUPAC Name: 4-chloro-3-ethylphenol | CAS Registry Number: 14143-32-9
Synonyms: phenol, 4-chloro-3-ethyl-, 279552_ALDRICH, EINECS 237-991-6, InChI=1/C8H9ClO/c1-2-6-5-7(10)3-4-8(6)9/h3-5,10H,2H2,1H

Molecular Formula: C8H9ClOMolecular Weight: 156.609460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DVKVZPIRWWREJC-UHFFFAOYSA-N

• 2-Aminobenzamide
IUPAC Name: 2-aminobenzamide | CAS Registry Number: 88-68-6
Synonyms: Anthranilamide, o-Aminobenzamide, Aminobenzamide, Benzamide, 2-amino-, 2-AMINOBENZAMIDE, Benzamide, o-amino-, Anthranilimidic acid, 2-Carbamoylaniline, Anthranilamide (VAN), Anthranilic acid amide, o-Aminobenzamide (VAN), 2-Aminobenzamide (VAN), Anthranilimidic acid (VAN), Oprea1_246280, A89804_ALDRICH, Benzoic acid, 2-amino-, amide, Benzamide, o-amino- (VAN), HSDB 5261, MLS001066328, 2-AB

Molecular Formula: C7H8N2OMolecular Weight: 136.151220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PXBFMLJZNCDSMP-UHFFFAOYSA-N

• 3-Methoxy-4-Nitrobenzoic Acid
IUPAC Name: 3-methoxy-4-nitrobenzoic acid | CAS Registry Number: 5081-36-7
Synonyms: 3-Methoxy-4-nitrobenzoic acid, 184306_ALDRICH, Benzoic acid, 3-methoxy-4-nitro-, EINECS 225-793-2, NSC148471, ST5406683, TL8003366

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

InChIKey: PWURRRRGLCVBMX-UHFFFAOYSA-N


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