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• 4,4 - Dimethoxytrityl Chloride
IUPAC Name: 1-[chloro-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene | CAS Registry Number: 40615-36-9
Synonyms: DMT-Cl, 4,4'-Dimethoxytrityl chloride, 100013_ALDRICH, 38827_FLUKA, NSC89782, EINECS 255-002-6, SBB006479, ZINC03860826, Chloro-4,4'-dimethoxytriphenylmethane, 4,4'-Dimethoxytriphenylmethyl chloride, Methane, chlorobis(p-methoxyphenyl)phenyl-, 1,1'-(Chlorophenylmethylene)bis(4-methoxybenzene), Benzene, 1,1'-(chlorophenylmethylene)bis(4-methoxy-, DMT

Molecular Formula: C21H19ClO2Molecular Weight: 338.827360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JBWYRBLDOOOJEU-UHFFFAOYSA-N

• (S)-3-N-Acetylamino Pyrrolidine
IUPAC Name: N-[(3S)-pyrrolidin-3-yl]acetamide | CAS Registry Number: 114636-31-6
Synonyms: (3S)-(-)-3-Acetamidopyrrolidine, (S)-3-Acetamidopyrrolidine, (S)-3-ACETAMIDO-PYRROLIDINE, N-[(3S)-pyrrolidin-3-yl]acetamide, (S)-3-Acetaminopyrrolidine, (+)-N-[(3R)-Pyrrolidin-3-yl]acetamide, AC1ODVEV, SureCN39850, CTK3J6651, MolPort-001-768-436, ANW-16701, OR4609, AKOS015837752, AC-6726, AG-D-35018, AK-47741, BR-47741, KB-63520, FT-0604728, X9087

Molecular Formula: C6H12N2OMolecular Weight: 128.172280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HDCCJUCOIKLZNM-LURJTMIESA-N

• 4-Indolecarboxylicacid
IUPAC Name: 1H-indole-4-carboxylic acid | CAS Registry Number: 2124-55-2
Synonyms: Indole-4-carboxylic acid, 1H-Indole-4-carboxylic acid, 246263_ALDRICH, BB_SC-4609, ALBB-006377, CID595229, I-2330

Molecular Formula: C9H7NO2Molecular Weight: 161.157380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ROGHUJUFCRFUSO-UHFFFAOYSA-N

• 3,5-Dichloropyrazine-2-carbonitrile
IUPAC Name: 3,5-dichloropyrazine-2-carbonitrile | CAS Registry Number: 313339-92-3
Synonyms: 2-Pyrazinecarbonitrile, 3,5-dichloro-, ACMC-209ynm, CTK4G6866, MolPort-009-199-017, ANW-49184, WTI-11633, AKOS015848881, AG-L-22885, PB31130, QC-3810, RP23590, RP23593, AK-31179, BR-31179, KB-28628, 3,5-DICHLORO-2-PYRAZINECARBONITRILE, AM20120501, X0204

Molecular Formula: C5HCl2N3Molecular Weight: 173.987540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SDTCGHLDTSGIRR-UHFFFAOYSA-N

• 1,6-Hexanediamine Dihydrochloride
IUPAC Name: hexane-1,6-diamine dihydrochloride | CAS Registry Number: 6055-52-3
Synonyms: 247731_ALDRICH, Hexamethylenediamine dihydrochloride, hexane-1,6-diamine dihydrochloride, 1,6-Diaminohexane dihydrochloride, MolPort-002-045-291, 1,6-HEXANEDIAMINE DIHYDROCHLORIDE, CID2786615, D0096

Molecular Formula: C6H18Cl2N2Molecular Weight: 189.126520 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 2

InChIKey: XMVQMBLTFKAIOX-UHFFFAOYSA-N

• 1-PENTANONE, 1-(3-FURANYL)-4-HYDROXY-
IUPAC Name: 1-(furan-3-yl)-4-hydroxypentan-1-one | CAS Registry Number: 55659-41-1
Synonyms: 4-Ipomeanol, IPOMEANOL, CCRIS 705, 1-(3-Furyl)-4-hydroxypentanone, HSDB 3498, (+-)-isomer of 4-ipomeanol, 1-Pentanone, 1-(3-furanyl)-4-hydroxy-, NSC349438, 1-(beta-Furyl)-4-hydroxypentanone, 1-(3-Furanyl)-4-hydroxy-1-pentanone, C9H12O3, 1-(3-Furyl)-4-hydroxy-1-pentanone, 1-(3-Furyl)-4-hydroxy-4-pentanone, AIDS032115, Pentanone, 1-(3-furyl)-4-hydroxy-, NSC 644432, AIDS-032115, CID36284, 1-Pentanone, 1-(3-furyl)-4-hydroxy-, NSC644432

Molecular Formula: C9H12O3Molecular Weight: 168.189780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RJYQLMILDVERHH-UHFFFAOYSA-N

• 19-NORLANOSTA-5,23-DIENE-3,11,22-TRIONE, 25-(ACETYLOXY)-2,16,20-TRIHYDROXY-9-(HYDROXYMETHYL)-, (2SS,9SS,10A,16A,23E)-
IUPAC Name: [(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate | CAS Registry Number: 6040-19-3
Synonyms: Cucurbitacin A, Cucurbitacine A, NSC94743, CHEBI:543902, NSC 94743, AIDS012184, AIDS-012184, LMST01010103, CID5281315, LS-96986, C08793, 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-(hydroxymethyl)-, (2beta,9beta,10alpha,16alpha,23E)-, 19-Nor-9.beta.,10.alpha.-lanosta-5,23-diene-3,11,22-trione, 2.beta.,16.alpha.,20,25-tetrahydroxy-9-(hydroxymethyl)-,25-acetate, (E)-, 19-Norlanosta-5,23-diene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-(hydroxymethyl)-, 25-acetate, 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-(hydroxymethyl)-, (2.beta.,9.beta.,10.alpha.,16.alpha.,23E)-, 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-(hydroxymethyl)-,(2.beta.,9.beta.,10.alpha.,16.alpha.,23E)-

Molecular Formula: C32H46O9Molecular Weight: 574.702240 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 9

InChIKey: IHTCCHVMPGDDSL-IVNGUWCNSA-N

• 1,1-Dichloro-1-Fluoroethane (HCFC-141b)
IUPAC Name: 1,1-dichloro-1-fluoroethane | CAS Registry Number: 1717-00-6
Synonyms: Dichlorofluoroethane, Refrigerant 141b, Isotron 141b, Solkane 141b, Freon-141, Ethane, 1,1-dichloro-1-fluoro-, HCFC 141b, HCFC-141b, CFC 141b, 1,1-DICHLORO-1-FLUOROETHANE, CCRIS 7208, HSDB 6757, R 141b, CFC-141, CID15586, BRN 1731585, LS-65493, 4-01-00-00134 (Beilstein Handbook Reference)

Molecular Formula: C2H3Cl2FMolecular Weight: 116.949623 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FRCHKSNAZZFGCA-UHFFFAOYSA-N

• 2,4-Dichlorobenzoic Acid
IUPAC Name: 2,4-dichlorobenzoic acid | CAS Registry Number: 50-84-0
Synonyms: 2,4-DICHLOROBENZOIC ACID, Benzoic acid, 2,4-dichloro-, 2,4-Dichlorobenzoate, WLN: QVR BG DG, NSC 578, 139572_ALDRICH, 36749_RIEDEL, NSC578, 35300_FLUKA, CHEBI:30748, EINECS 200-067-8, AIDS018019, AIDS-018019, BRN 1868192, LS-146, AI3-14873, NCGC00091214-01, TL806117, ST5213899, C06670

Molecular Formula: C7H4Cl2O2Molecular Weight: 191.011460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ATCRIUVQKHMXSH-UHFFFAOYSA-N

• 3,4-Dimethoxybenzaldehyde
IUPAC Name: 3,4-dimethoxybenzaldehyde | CAS Registry Number: 120-14-9
Synonyms: VERATRALDEHYDE, Methylvanillin, Veratric aldehyde, Veratral, Veratryl aldehyde, Veratrum aldehyde, Vanillin methyl ether, p-Veratric aldehyde, 4-O-Methylvanillin, Benzaldehyde, 3,4-dimethoxy-, 3,4-Dimethoxybenzenecarbonal, FEMA No. 3109, CCRIS 6285, Protocatechualdehyde dimethyl ether, WLN: VHR CO1 DO1, W310905_ALDRICH, 143758_ALDRICH, Protocatechuic aldehyde dimethyl ether, 94860_FLUKA, CHEBI:17098

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WJUFSDZVCOTFON-UHFFFAOYSA-N

• 4-Nitrochlorobenzene
IUPAC Name: 1-chloro-4-nitrobenzene | CAS Registry Number: 100-00-5
Synonyms: 4-Chloronitrobenzene, p-Chloronitrobenzene, p-Nitrochlorobenzene, PNCB, 1-CHLORO-4-NITROBENZENE, Nitrochlorobenzene, p-Nitrophenyl chloride, Benzene, 1-chloro-4-nitro-, p-Nitrochlorobenzol, p-Nitroclorobenzene, p-Nitrochloorbenzeen, 1-Nitro-4-chlorobenzene, 4-Chloro-1-nitrobenzene, 4-Nitro-1-chlorobenzene, 1,4-Chloronitrobenzene, 1-Chlor-4-nitrobenzol, 1-Cloro-4-nitrobenzene, 1-Chloor-4-nitrobenzeen, WLN: WNR DG, p-Nitrochloorbenzeen [Dutch]

Molecular Formula: C6H4ClNO2Molecular Weight: 157.554460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CZGCEKJOLUNIFY-UHFFFAOYSA-N

• 5-Bromo Salicylal
IUPAC Name: 5-bromo-2-hydroxybenzaldehyde | CAS Registry Number: 1761-61-1
Synonyms: 5-Bromosalicylaldehyde, 5-Bromo-2-hydroxybenzaldehyde, 5-Bromo-salicyclaldehyde, Salicylaldehyde, 5-bromo-, Benzaldehyde, 5-bromo-2-hydroxy-, 2-Hydroxy-5-bromobenzaldehyde, 137286_ALDRICH, NSC 7310, NSC 9258, EINECS 217-167-2, NSC7310, NSC9258, AIDS017920, AIDS-017920, SBB016339, ZINC00151784, AI3-31310, LS-184913, InChI=1/C7H5BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-4,10

Molecular Formula: C7H5BrO2Molecular Weight: 201.017400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MKKSTJKBKNCMRV-UHFFFAOYSA-N

• 3,3'-(1,4-NAPHTHYLIDENE)DIPROPRIONATE
Synonyms: NDPO2, AIDS070505, AIDS-070505, CID114747, 1,4-Naphthalenedipropionic acid, 1,4-endoperoxide

Molecular Formula: C16H16O6Molecular Weight: 304.294640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: MKLRPXPCOAPESG-UHFFFAOYSA-N

• 4'-FLUOROCOCAINE
IUPAC Name: methyl (1S,3S,4R,5R)-3-(4-fluorobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate | CAS Registry Number: 134507-62-3
Synonyms: 4'-Fluorococaine, CID126112, 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-((4-fluorobenzoyl)oxy)-8-methyl-, methyl ester, (1R-(exo,exo))-

Molecular Formula: C17H20FNO4Molecular Weight: 321.343403 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: JRPRINGETIYVSV-LJISPDSOSA-N

• 2-Furaldehyde
IUPAC Name: furan-2-carbaldehyde | CAS Registry Number: 98-01-1
Synonyms: FURFURAL, 2-Furancarboxaldehyde, Furaldehyde, Fural, Furancarbonal, Furfuraldehyde, 2-Furanaldehyde, 2-Furancarbonal, Furfurole, Furfurol, Furale, Furole, Furol, Furfurylaldehyde, 2-Furfural, 2-Furylaldehyde, Quakeral, 2-Formylfuran, Artificial ant oil, Fufural

Molecular Formula: C5H4O2Molecular Weight: 96.084060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HYBBIBNJHNGZAN-UHFFFAOYSA-N

• 1,6-naphthyridin-5(6H)-one
IUPAC Name: 6H-1,6-naphthyridin-5-one | CAS Registry Number: 23616-31-1
Synonyms: 6H-1,6-naphthyridin-5-one, MolPort-002-499-297, MolPort-003-791-546, ZINC15442505, CID5520368, EN000464

Molecular Formula: C8H6N2OMolecular Weight: 146.146040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WTYLPQUOPMMOQW-UHFFFAOYSA-N

• 2,3-Dimethyl-2,3-Diphenylbutane
IUPAC Name: (2,3-dimethyl-3-phenylbutan-2-yl)benzene | CAS Registry Number: 1889-67-4
Synonyms: Dicumene, alpha,alpha'-Dicumyl, .alpha.,.alpha.'-Dicumyl, 2,3-Dimethyl-2,3-diphenylbutane, MolPort-003-944-987, Butane, 2,3-dimethyl-2,3-diphenyl-, CID74681, NSC34859, EINECS 217-568-2, NSC 34859, (1,1,2-Trimethyl-2-phenylpropyl)benzene, AI3-23740, Benzene, 1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis-, 1,1'-(1,1,2,2-Tetramethylethylene)dibenzene, Bibenzyl, .alpha.,.alpha.,.alpha.',.alpha.'-tetramethyl-, Bibenzyl, alpha,alpha,alpha',alpha'-tetramethyl- (8CI)

Molecular Formula: C18H22Molecular Weight: 238.367280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: HGTUJZTUQFXBIH-UHFFFAOYSA-N

• (1-hexyl-5-phenyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
IUPAC Name: (1-hexyl-5-phenylpyrrol-3-yl)-naphthalen-1-ylmethanone | CAS Registry Number: 914458-20-1
Synonyms: JWH-147, CHEMBL374982, CHEBI:463844, DNC006997, AKOS015950991, AB1006809, 1-Hexyl-2-phenyl-4-(1-naphthoyl)pyrroleJWH-147, (1-Hexyl-5-phenyl-1H-pyrrol-3-yl)-1-naphthalenylmethanone

Molecular Formula: C27H27NOMolecular Weight: 381.509380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FRMYAMAGHYHNKF-UHFFFAOYSA-N

• 1,2-Propanediol
IUPAC Name: propane-1,2-diol | CAS Registry Number: 57-55-6
Synonyms: propylene glycol, 1,2-propanediol, Sirlene, propane-1,2-diol, Trimethyl glycol, Dowfrost, 2-Hydroxypropanol, Methylethyl glycol, Solargard P, 2,3-Propanediol, 1,2-Propylene glycol, Methyl glycol, Monopropylene glycol, propanediol, Methylethylene glycol, Isopropylene glycol, Solar Winter BAN, dl-Propylene glycol, 1,2-dihydroxypropane, alpha-Propyleneglycol

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

InChIKey: DNIAPMSPPWPWGF-UHFFFAOYSA-N

• 2-Cyano Pyridine
IUPAC Name: pyridine-2-carbonitrile | CAS Registry Number: 100-70-9
Synonyms: Picolinonitrile, 2-Cyanopyridine, 2-Pyridyl nitrile, 2-PYRIDINECARBONITRILE, Picolinic acid nitrile, Pyridine-2-carbonitrile, Pyridinecarbonitrile, Picolinonitrile (8CI), C94602_ALDRICH, 2-Pyridinecarboxylic acid, nitrile, CHEBI:27837, HSDB 5338, NSC59697, EINECS 202-880-3, NSC 59697, SBB008920, ZINC00404339, TL8007316, C02221, InChI=1/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4

Molecular Formula: C6H4N2Molecular Weight: 104.109360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FFNVQNRYTPFDDP-UHFFFAOYSA-N

• 3,5-Dinitrosalicylic Acid
IUPAC Name: 2-hydroxy-3,5-dinitrobenzoic acid | CAS Registry Number: 609-99-4
Synonyms: 3,5-Dinitrosalicylate, 3,5-DINITROSALICYLIC ACID, Salicylic acid, 3,5-dinitro-, Benzoic acid, 2-hydroxy-3,5-dinitro-, 2-Hydroxy-3,5-dinitrobenzoic acid, 3,5-Dinitro-2-hydroxybenzoic acid, Oprea1_730607, D0550_SIGMA, NSC 181, 128848_ALDRICH, NSC181, EINECS 210-204-3, BRN 2220661, AI3-15341, NCGC00166042-01, LS-144323, ST5308508, TL8003862, BENZOIC ACID,3,5-DINITRO,2-HYDROXY, C11319

Molecular Formula: C7H4N2O7Molecular Weight: 228.115860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: LWFUFLREGJMOIZ-UHFFFAOYSA-N

• 4-Aminoanisole
IUPAC Name: 4-methoxyaniline | CAS Registry Number: 104-94-9
Synonyms: p-Anisidine, 4-Methoxyaniline, p-Aminoanisole, p-Anisylamine, p-Methoxyaniline, 4-Anisidine, p-Dianisidine, p-Methoxyphenylamine, Benzenamine, 4-methoxy-, Anisole, p-amino-, 4-Methoxybenzenamine, 4-Methoxybenzeneamine, Aniline, p-methoxy-, Aniline, 4-methoxy-, 1-Amino-4-methoxybenzene, 4-Methoxy-1-aminobenzene, 4-METHYOXYANILINE, 4-METHOXY-ANILINE, CCRIS 917, WLN: ZR DO1

Molecular Formula: C7H9NOMolecular Weight: 123.152460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BHAAPTBBJKJZER-UHFFFAOYSA-N

• 2-Butanone Oxime
IUPAC Name: (NZ)-N-butan-2-ylidenehydroxylamine | CAS Registry Number: 96-29-7
Synonyms: Butanone oxime, MEK-oxime, 2-Butanone, oxime, Ethyl methyl ketoxime, Methyl ethyl ketoxime, Troykyd anti-skin B, Skino #2, 2-BUTANONE OXIME, Ethyl methyl ketone oxime, Methyl ethyl ketone oxime, USAF AM-3, USAF EK-906, (2Z)-butan-2-one oxime, USAF DO-44, WLN: QNUY2&1, Ethyl-methylketonoxim [Czech], 2-butanone, oxime, (2Z)-, CCRIS 1382, NSC442, NSC 442

Molecular Formula: C4H9NOMolecular Weight: 87.120360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WHIVNJATOVLWBW-PLNGDYQASA-N

• 4,4'-Dihydroxytolan
IUPAC Name: 4-[2-(4-hydroxyphenyl)ethynyl]phenol | CAS Registry Number: 22608-45-3
Synonyms: 1,2-BIS(4-HYDROXYPHENYL)ACETYLENE, SureCN673609, CTK4E9816, AG-E-64705, -(1,2-ethynediyl)bis<4-hydroxybenzene>, KB-64135

Molecular Formula: C14H10O2Molecular Weight: 210.228000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YAPDVYKTEDPFBG-UHFFFAOYSA-N

• 2-HYDROXYAMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE
IUPAC Name: N-(1-methyl-6-phenylimidazo[4,5-b]pyridin-2-yl)hydroxylamine | CAS Registry Number: 124489-20-9
Synonyms: N-Hydroxy phip, N-hydroxy-PHIP, 2-hydroxyamino-PhIP, N-OH-PhIP, CCRIS 4107, CID104954, LS-80163, LS-80383, 2-Hydroxyamino-1-methyl-6-phenylimidazo(4,5-b)pyridine, 2-Hydroxamino-1-methyl-6-phenylimidazo(4,5-b)pyridine, C060533, 1,3-Dihydro-1-methyl-6-phenyl-2H-imidazo(4,5-b)pyridin-2-one oxime, 2H-Imidazo(4,5-b)pyridin-2-one, 1,3-dihydro-1-methyl-6-phenyl-, oxime

Molecular Formula: C13H12N4OMolecular Weight: 240.260580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DCVWQAGUQFBCTF-UHFFFAOYSA-N

• 2-METHYLENE-1,3-DIOXEPANE
IUPAC Name: 2-methylidene-1,3-dioxepane | CAS Registry Number: 69814-56-8
Synonyms: 2-methylidene-1,3-dioxepane, AG-G-72373, AC1L1KCU, SureCN644315, AC1Q6Z6H, 2-methyl ene-1,3-dioxepane, CTK5D1390, AKOS006271679, KB-25110, FT-0691800

Molecular Formula: C6H10O2Molecular Weight: 114.142400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AVUFZLGLMCACRE-UHFFFAOYSA-N

• (2S,4S,4AS,6R,8AR)-4-(2-HYDROXY-4-(2-METHYLOCTAN-2-YL)PHENYL)-6-(HYDROXYMETHYL)DECAHYDRONAPHTHALEN-2-OL
IUPAC Name: (2S,4S,4aS,6R,8aR)-6-(hydroxymethyl)-4-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol | CAS Registry Number: 79678-32-3
Synonyms: CHEBI:321360, PDSP2_000244, CID133254, CP 55244, CP 97587, CP-55244, CP 55,244, C065365, CP 55244, (2R-(2alpha,4abeta,6alpha,8alpha,8aalpha))-isomer, CP 55244, (2S-(2alpha,4abeta-6alpha,8alpha,8aalpha))-isomer, (2S,4S,4aS,6R,8aR)-4-[4-(1,1-Dimethyl-heptyl)-2-hydroxy-phenyl]-6-hydroxymethyl-decahydro-naphthalen-2-ol, 2-Naphthalenemethanol, 8-(4-(1,1-dimethylheptyl)-2-hydroxyphenyl)decahydro-6-hydroxy-, (2alpha,4abeta,6alpha,8alpha,8aalpha)-(+-)-

Molecular Formula: C26H42O3Molecular Weight: 402.609880 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: ZAELPWSCABXXAB-QXASVXAKSA-N

• 1,3,3-TRIMETHYLINDOLINO-SS-NAPHTHOPYRYLOSPIRAN
IUPAC Name: 1',3',3'-trimethylspiro[benzo[f]chromene-3,2'-indole] | CAS Registry Number: 1592-43-4
Synonyms: 1,3,3-Trimethylindolino-beta-naphthopyrylospiran, AC1MBOIH, ChemDiv1_019073, SureCN1894170, Oprea1_051236, Oprea1_314400, STOCK1S-55796, CTK8B3396, HMS641C21, MolPort-001-930-057, ANW-42458, STK753339, AKOS000279483, AG-E-08575, CL22974, MCULE-5728235730, BAS 00398944, EU-0067023, ST50227459, T0423

Molecular Formula: C23H21NOMolecular Weight: 327.418940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DTQKEQFXLWFVCS-UHFFFAOYSA-N

• 2,2'-[[2-(2-HYDROXYETHOXY)ETHYL]IMINO]BISETHANOL
IUPAC Name: 2-[2-(2-hydroxyethoxy)ethyl-(2-hydroxyethyl)amino]ethanol | CAS Registry Number: 17626-34-5
Synonyms: EINECS 241-604-6, CID87197, 2,2'-((2-(2-Hydroxyethoxy)ethyl)imino)bisethanol

Molecular Formula: C8H19NO4Molecular Weight: 193.240760 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: JIQBWPFLOVGXMI-UHFFFAOYSA-N

• 2-(4-METHOXYPHENYL)-3-{4-[2-(PIPERIDIN-1-YL)ETHOXY]PHENOXY}-1-BENZOTHIOPHEN-6-OL HCL
IUPAC Name: 2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-6-ol hydrochloride | CAS Registry Number: 182133-27-3
Synonyms: Arzoxifene hydrochloride, Arzoxifene HCl, SERM 3, LY 353381 HCl, Arzoxifene hydrochloride (USAN), Arzoxifene hydrochloride [USAN], LY-353381.HCl, CID179338, NSC714373, LS-182452, LY 353381, LY 353381 HCl concept CR-98-023, D02993, 2-(4-Methoxyphenyl)-3-(4-(2-(1-piperidinyl)ethoxy)phenoxy)benzo(b)thiophene-6-ol hydrochloride, 2-(p-Methoxyphenyl)-3-(p-(2-(1-piperidinyl)ethoxy)phenoxy)benzo(b)thiophene-6-ol hydrochloride, Benzo(b)thiophene-6-ol, 2-(4-methoxyphenyl)-3-(4-(2-(1-piperidinyl)ethoxy)phenoxy)-, hydrochloride, 2-(p-Methoxyphenyl)-3-(p-(2-piperidinoethoxy)phenoxy)benzo(b)thiophene-6-ol hydrochloride

Molecular Formula: C28H30ClNO4SMolecular Weight: 512.060100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: NHSNLUIMAQQXGR-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

• (Trimethylsilyl)diazomethane
IUPAC Name: diazomethyl(trimethyl)silane | CAS Registry Number: 18107-18-1
Synonyms: Tmschn2, Trimethylsilyldiazomethane, (Diazomethyl)trimethylsilane, 362832_ALDRICH, 527254_ALDRICH, Silane, (diazomethyl)trimethyl-, (Trimethylsilyl)diazomethane solution

Molecular Formula: C4H10N2SiMolecular Weight: 114.221100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ONDSBJMLAHVLMI-UHFFFAOYSA-N

• 4-FLUOROEPHEDRONE HYDROCHLORIDE
IUPAC Name: 1-(4-fluorophenyl)-2-(methylamino)propan-1-one;hydrochloride | CAS Registry Number: 7589-35-7
Synonyms: 4-Fluoroephedrone Hydrochloride, FT-0668652, 4'-Fluoro-2-(methylamino)propiophenone Hydrochloride, 1-(4-Fluorophenyl)-2-(methylamino)-1-propanone Hydrochloride, 4 inverted exclamation mark -Fluoromethcathinone Hydrochloride

Molecular Formula: C10H13ClFNOMolecular Weight: 217.667723 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AQIZJTCPVRVBFJ-UHFFFAOYSA-N

• 1,3-BENZENEDICARBOXALDEHYDE,5-HYDROXY-
IUPAC Name: 5-hydroxybenzene-1,3-dicarbaldehyde | CAS Registry Number: 144876-14-2
Synonyms: 1,3-BENZENEDICARBOXALDEHYDE, 5-HYDROXY-, AGN-PC-00OMMC, 5-HYDROXYISOPHTHALALDEHYDE, AB70418, 5-HYDROXYBENZENE-1,3-DICARBALDEHYDE, 5-HYDROXY-1,3-BENZENEDICARBOXALDEHYDE

Molecular Formula: C8H6O3Molecular Weight: 150.131440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DGXGWECICDYSEX-UHFFFAOYSA-N

• 1-NAPHTHALENECARBONYL CHLORIDE,4-METHYL-
IUPAC Name: 4-methylnaphthalene-1-carbonyl chloride | CAS Registry Number: 87700-67-2
Synonyms: 1-NAPHTHALENECARBONYL CHLORIDE, 4-METHYL-, CTK3E6534, AKOS000114497, AG-H-54011, QC-1293, 1-Naphthalenecarbonylchloride, 4-methyl-, 1-Naphthalenecarbonyl chloride, 4-methyl- (9CI), 4-Methyl-1-naphthalenecarbonylchloride; 4-Methyl-1-naphthoyl chloride

Molecular Formula: C12H9ClOMolecular Weight: 204.652260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IXGMHYHWSPDNNS-UHFFFAOYSA-N

• 2,5-DIHYDROXYBENZENESULFONIC ACID
IUPAC Name: 2,5-dihydroxybenzenesulfonic acid | CAS Registry Number: 88-46-0
Synonyms: HYDSULFOP, Hydroquinone sulfonic acid, Prestwick0_001015, Prestwick1_001015, Prestwick2_001015, Prestwick3_001015, BSPBio_001169, SPBio_003040, BPBio1_001287, 2,5-Dihydroxybenzenesulfonic Acid, Hydroquinone sulfonic acid polymer, MolPort-001-783-251, 2,5-Dihydroxybenzenesulphonic acid, AIDS220860, AIDS220867, AIDS-220860, AIDS-220867, CID17507, EINECS 201-833-4, LS-187759

Molecular Formula: C6H6O5SMolecular Weight: 190.173840 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: IKQCSJBQLWJEPU-UHFFFAOYSA-N

• 4-[4-TRANS-(3,4-DIFLOURPHENYL)-CYCLOHEXYL]-CYCLOHEXANON
IUPAC Name: 4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexan-1-one | CAS Registry Number: 147622-85-3
Synonyms: trans-4'-(3,4-Difluorophenyl)-[1,1'-bi(cyclohexan)]-4-one, 4-[4-(3,4-difluorophenyl)cyclohexyl]cyclohexan-1-one, SCHEMBL7775189, SCHEMBL7775191, AKOS027460714, ZINC101234626, ZINC514278507, AK542483, OR064882, 4'-(3,4-Difluorophenyl)bi(cyclohexan)-4-one, 4-[4-trans-(3,4-Diflourphenyl)-cyclohexyl]-cyclohexanon, [1,1'-Bicyclohexyl]-4-one, 4'-(3,4-difluorophenyl)-, trans-, 4-[(1alpha)-4beta-(3,4-Difluorophenyl)cyclohexyl]cyclohexanone

Molecular Formula: C18H22F2OMolecular Weight: 292.370 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: IUJMYVYPSSBPCX-UHFFFAOYSA-N

• 4-HYDROXYBENZENESULFONIC ACID SODIUM SALT HYDRATE
IUPAC Name: 4-hydroxybenzenesulfonic acid | CAS Registry Number: 28469-73-0
Synonyms: p-Sulfophenol, p-Phenolsulfonic acid, Sulfocarbolic acid, 4-Phenolsulfonic acid, phenolsulfonic acid, p-Hydroxybenzenesulfonic acid, 4-Hydroxybenzenesulfonic acid, Benzenesulfonic acid, p-hydroxy-, Benzenesulfonic acid, 4-hydroxy-, Phenol-4-sulfonic acid, 4-Hydroxybenzenesulphonic acid, Phenolsulfonic acid (JAN), Hydroxybenzene-4-sulfonic acid, 4-HYDROXYPHENYLSULFONIC ACID, HSDB 5319, 171506_ALDRICH, Sodium p-hydroxybenzenesulphonate, 77670_FLUKA, CHEBI:32354, EINECS 202-691-6

Molecular Formula: C6H6O4SMolecular Weight: 174.174440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: FEPBITJSIHRMRT-UHFFFAOYSA-N

• 5-FORMYL-2'-DEOXYURIDINE
IUPAC Name: 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carbaldehyde | CAS Registry Number: 4494-26-2
Synonyms: CHEBI:365589, NSC148297, CID288008, 1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidine-5-carbaldehyde, 5-Pyrimidinecarboxaldehyde, 1-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-1,2,3,4-tetrahydro-2,4-dioxo-

Molecular Formula: C10H12N2O6Molecular Weight: 256.212080 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: MVORBLZUGBSUNB-UHFFFAOYSA-N

• ?-(4'-Hydroxyphenyl)phloroacetophenone
IUPAC Name: 2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone | CAS Registry Number: 15485-65-1
Synonyms: SureCN5036945, CHEMBL395753, 2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone, CHEBI:491899, 2,4,4',6-tetrahydroxydeoxybenzoin, 2-(p-Hydroxyphenyl)phloroacetophenone, |A-(4'-Hydroxyphenyl)phloroacetophenone, FT-0669976, 2,4,6-Trihydroxyphenyl-4'-hydroxybenzyl Ketone

Molecular Formula: C14H12O5Molecular Weight: 260.242080 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: XYMPPRJBUSAOQA-UHFFFAOYSA-N

• 3,4-Dichloroaniline
IUPAC Name: 3,4-dichloroaniline | CAS Registry Number: 95-76-1
Synonyms: 3,4-DICHLOROANILINE, 3,4-Dichloranilin, 4,5-Dichloroaniline, 3,4-Dichloraniline, 3,4-Dichlorobenzenamine, Benzenamine, 3,4-dichloro-, m.p-Dichloroaniline, Aniline, 3,4-dichloro-, m,p-dichloroaniline, 3,4-Dichlorophenylamine, 1-Amino-3,4-dichlorobenzene, 3,4-DCA, DCA (VAN), WLN: ZR CG DG, 34-DICHLOROANILINE, 4-Amino-1,2-dichlorobenzene, CCRIS 2395, nchembio.2007.32-comp5, HSDB 1319, MLS002152880

Molecular Formula: C6H5Cl2NMolecular Weight: 162.016600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SDYWXFYBZPNOFX-UHFFFAOYSA-N

• 3-Phenyl Propanoic Acid
IUPAC Name: 3-phenylpropanoic acid | CAS Registry Number: 501-52-0
Synonyms: hydrocinnamic acid, Phenylpropanoate, Benzylacetic acid, 3-phenylpropionic acid, Benzenepropanoic acid, 3-Phenylpropanoic acid, Dihydrocinnamic acid, Benzenepropionic acid, Hydrozimtsaeure, Phenylpropanoic acid, 1ahx, 1tog, 1toi, 1toj, 3-phenylpropionate, 3-Phenyl-propionic acid, Phenylpropionic acid, 3-Phenylpropionsaeure, beta-Phenylpropioic acid, BETA-PHENYLPROPIONIC ACID

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

InChIKey: XMIIGOLPHOKFCH-UHFFFAOYSA-N

• 1-TERT-BUTYL 4,4-DIETHYL PIPERIDINE-1,4,4-TRICARBOXYLATE
IUPAC Name: 1-O-tert-butyl 4-O,4-O'-diethyl piperidine-1,4,4-tricarboxylate | CAS Registry Number: 848070-26-8
Synonyms: SureCN2206945, 1,4,4-Piperidinetricarboxylic acid, 1-(1,1-dimethylethyl) 4,4-diethyl ester

Molecular Formula: C16H27NO6Molecular Weight: 329.388680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: UOEYKNPDPRQKCE-UHFFFAOYSA-N

• 3,4-Dihydro-2H-Pyran -2-Carboxaldehyde
IUPAC Name: 3,4-dihydro-2H-pyran-2-carbaldehyde | CAS Registry Number: 100-73-2
Synonyms: Acrolein dimer, Pyran aldehyde, 2-Propenal dimer, 5-Hexenal, 2,6-epoxy-, 2-Formyl-3,4-dihydro-2H-pyran, WLN: T6O BUTJ FVH, 3,4-Dihydro-2H-pyran-2-carbaldehyde, Pyran aldehyde (Acrolein dimer), EINECS 202-884-5, 3,4-Dihydro-2H-pyran-2-carboxaldehyde, MolPort-001-794-184, NSC 95413, UN2607, CID60994, NSC95413, 2H-PYRAN-2-CARBOXALDEHYDE, 3,4-DIHYDRO-, BRN 0107244, 2,3-Dihydro-1,4-pyran-2-karboxaldehyd, LS-127272, 2,3-Dihydro-1,4-pyran-2-karboxaldehyd [Czech]

Molecular Formula: C6H8O2Molecular Weight: 112.126520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NPWYTMFWRRIFLK-UHFFFAOYSA-N

• 3-Tert-Butyl-5-Chloro-6-Methyluracil
IUPAC Name: 3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione | CAS Registry Number: 5902-51-2
Synonyms: Turbacil, Geonter, Sinbar, TERBACIL, Compound 732, Caswell No. 821A, Du Pont 732, Du Pont herbicide 732, Experimental herbicide 732, Terbacil [ANSI:BSI:ISO], ChemDiv2_000511, PS375_SUPELCO, HSDB 1418, Bio-0470, 45675_RIEDEL, 3-tert-Butyl-5-chloro-6-methyluracil, 3-t-Butyl-5-chloro-6-methyluracil, 45675_FLUKA, EINECS 227-595-1, Uracil, 3-tert-butyl-5-chloro-6-methyl-

Molecular Formula: C9H13ClN2O2Molecular Weight: 216.664720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NBQCNZYJJMBDKY-UHFFFAOYSA-N

• 3-Aminofluoranthene
IUPAC Name: fluoranthen-3-amine | CAS Registry Number: 2693-46-1
Synonyms: 4-Aminofluoranthene, 3-FLUORANTHENAMINE, Fluoranthen-3-ylamine, CCRIS 7011, A55403_ALDRICH, EINECS 220-263-7, NSC 57469, NSC57469, BRN 2212365, SBB003376, ZINC01841840, LS-69109, 4-12-00-03463 (Beilstein Handbook Reference)

Molecular Formula: C16H11NMolecular Weight: 217.265240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VHGJAFIHUSTRGB-UHFFFAOYSA-N

• 5-Tert-Butylsalicylaldehyde
IUPAC Name: 5-tert-butyl-2-hydroxybenzaldehyde | CAS Registry Number: 2725-53-3
Synonyms: 5-tert-Butyl-2-hydroxybenzaldehyde, 5-tert-Butylsalicylaldehyde, 5-(tert-butyl)-2-hydroxybenzaldehyde, AG-E-86819, Benzaldehyde, 2-hydroxy, 5-(t-butyl), ZINC01387078, zlchem 670, PubChem19674, ACMC-20a2xz, AC1LROS5, 477532_ALDRICH, 5-t-Butyl-2-hydroxybenzaldehyde, CTK4F9361, ZLD0122, MolPort-001-785-132, ACT05911, ANW-54741, GEO-02512, SBB068765, STK006382

Molecular Formula: C11H14O2Molecular Weight: 178.227660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZVCQQLGWGRTXGC-UHFFFAOYSA-N

• (S)-4-(4'-Nitrobenzyl)-1,3-oxazolidine-2-one
IUPAC Name: (4R)-4-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one | CAS Registry Number: 139264-66-7
Synonyms: (S)-4-(4-nitro benzyl)1,3 oxazolidine-2-one, PubChem23343, SureCN7814089, AKOS015911106, I14-39575

Molecular Formula: C10H10N2O4Molecular Weight: 222.197400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: CCEJPIYBVGYGEM-MRVPVSSYSA-N

• 7-Ethyl-10-Hydroxycamptothecin
Synonyms: Camptothecin analog, SN-38, 7-Ethyl-10-hydroxycamptothecin, SN38, SN 38, 7-Ethyl-10-hydroxy-camptothecin, Captothecin, 7-ethyl-10-hydroxy-, NSC673596, AIDS058635, AIDS-058635, 7-Ethyl-10-hydroxy-20(S)-CPT, 7-ethyl-10-hydroxy-20(s)-campthothecin, 7-Ethyl-10-hydroxy-20(S)-camptothecin, NCI60_026056, SL-00817, LS-127394, TL8005626, C11173, (4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4,7-diethyl-4,10-dihydroxy-

Molecular Formula: C22H20N2O5Molecular Weight: 392.404600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: FJHBVJOVLFPMQE-QFIPXVFZSA-N

• 2-Methyl-1-naphthol
IUPAC Name: 2-methylnaphthalen-1-ol | CAS Registry Number: 7469-77-4
Synonyms: 1-Naphthol, 2-methyl-, 2-Methyl-alpha-naphthol, 1-Naphthalenol, 2-methyl-, 2-Methyl-.alpha.-naphthol, 162841_ALDRICH, 2-METHYL-1-NAPHTHALENOL, 1-Naphthol, 2-methyl- (8CI), NSC402211, CID24055, 1-Naphthalenol, 2-methyl- (9CI), EINECS 231-265-2, NSC 402211

Molecular Formula: C11H10OMolecular Weight: 158.196500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SRJCJJKWVSSELL-UHFFFAOYSA-N


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