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Profile: Chempure is involved in the business of chemicals. We provide bio-chemical, fine, organic and specialty research chemicals. Our products include abietic acid, 2-cis-4-trans-abscisic acid, 2-acetamido-5-aminopyridine, 2-amino-4-chloro-6-methylpyrimidine, barium acetate, barium bromate, cadmium carbonate, cadmium sulfate octahydrate, 3-decanone, 2,5-difluorotoluene, 3,4-(ethylenedioxy)benzeneboronic acid and 3-ethyl-3-hexanol.

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• 1-Mesitylenesulfonyl-1,2,4-Triazole
IUPAC Name: 1-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole | CAS Registry Number: 54230-59-0
Synonyms: N-Mesitylenesulfonyl-1,2,4-triazole, ZINC00057617, EINECS 259-034-1, CID521491, Mesityl 1,2,4-triazole-1-sulphonate, 1-(2-Mesitylenesulfonyl)-1,2,4-triazole, 1-(2-Mesitylsulfonyl)-1H-1,2,4-triazole, LT00053159, 1-(Mesitylen-2-sulfonyl)-1H-1,2,4-triazole

Molecular Formula: C11H13N3O2SMolecular Weight: 251.304820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: XNKYPZJMRHXJJQ-UHFFFAOYSA-N

• 2,2,6,6-Tetrachlorocyclohexanol
IUPAC Name: 2,2,6,6-tetrachlorocyclohexan-1-ol | CAS Registry Number: 56207-45-5
Synonyms: NSC238935, Cyclohexanol, 2,2,6,6-tetrachloro-, CID92061, EINECS 260-055-3, ZINC03861358, LT03382599

Molecular Formula: C6H8Cl4OMolecular Weight: 237.939120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RORBTKDJFQCFMD-UHFFFAOYSA-N

• 1-N-Boc-3-Piperidone
IUPAC Name: tert-butyl 3-oxopiperidine-1-carboxylate | CAS Registry Number: 98977-36-7
Synonyms: 1-Boc-3-piperidone, 1-Boc-3-piperidinone, 650811_ALDRICH, ZINC04202422, ALBB-006250, CID2756825, tert-butyl 3-oxopiperidine-1-carboxylate, TL8006056

Molecular Formula: C10H17NO3Molecular Weight: 199.246880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RIFXIGDBUBXKEI-UHFFFAOYSA-N

• 2,2-Dibromopropane
IUPAC Name: 2,2-dibromopropane | CAS Registry Number: 594-16-1
Synonyms: Propane, 2,2-dibromo-, 2,2-DIBROMOPROPANE, EINECS 209-828-9, CID11658, OR59903, InChI=1/C3H6Br2/c1-3(2,4)5/h1-2H

Molecular Formula: C3H6Br2Molecular Weight: 201.887740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ARITXYXYCOZKMU-UHFFFAOYSA-N

• (4-N-Butoxybenzyl)triphenylphosphonium Bromide
IUPAC Name: (4-butoxyphenyl)methyl-triphenylphosphanium;bromide | CAS Registry Number: 146346-92-1
Synonyms: (4-Butoxybenzyl)triphenylphosphonium bromide, SBB059617, [(4-butoxyphenyl)methyl]triphenylphosphine, bromide, ACMC-20n4sp, CTK0H3874, AG-D-90635, KB-98017, FT-0604794, ST51044546, (4-n-butoxybenzyl)triphenylphosphonium bromide, I01-23427, (4-N-BUTOXYBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE;(4-BUTOXYBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE;(4-BUTOXYBENZYL)TRIPHENYLPHOSPHONIUM BRO;(4-N-BUTOXYBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE 98+%

Molecular Formula: C29H30BrOPMolecular Weight: 505.425662 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DYBCXFJUMGEGBX-UHFFFAOYSA-M

• 4-N-Butylchlorobenzene
IUPAC Name: 1-butyl-4-chlorobenzene | CAS Registry Number: 15499-27-1
Synonyms: 1-Butyl-4-chlorobenzene, 1-n-Butyl-4-chlorobenzene, Benzene, 1-butyl-4-chloro, ST50407427, p-Clorobutylbenzene, 4-Butylchlorobenzene, ACMC-209dbt, 4-butyl-1-chlorobenzene, AC1LAZ7Q, SureCN53919, DSSTox_CID_28167, DSSTox_RID_82728, DSSTox_GSID_48192, 4-N-BUTYLCHLOROBENZENE, 4-CHLORO-N-BUTYLBENZENE, CTK8B0874, BUTTPARK 31\04-89, MolPort-001-767-639, 1-(4'-CHLOROPHENYL)BUTANE, Tox21_303435

Molecular Formula: C10H13ClMolecular Weight: 168.663220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SKNUPXIXICTRJE-UHFFFAOYSA-N

• 1-Amino Anthraquinone
IUPAC Name: 1-aminoanthracene-9,10-dione | CAS Registry Number: 82-45-1
Synonyms: Diazo Fast Red AL, Anthraquinone, 1-amino-, l-Aminoanthraquinone, 1-AMINOANTHRAQUINONE, 1-Aminoanthrachinon, alpha-Aminoanthraquinone, alpha-Anthraquinonylamine, 1-Amino-9,10-anthraquinone, 9,10-Anthracenedione, 1-amino-, 1-Aminoanthrachinon [Czech], .alpha.-Aminoanthraquinone, .alpha.-Anthraquinonylamine, NSC458, 1-Amino-9,10-anthracenedione, NSC 458, 9,10-Anthracenedione, amino-, 06770_FLUKA, A39009_SIAL, EINECS 201-423-5, CID6710

Molecular Formula: C14H9NO2Molecular Weight: 223.226760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KHUFHLFHOQVFGB-UHFFFAOYSA-N

• 1-[4-(Trifluoromethyl)Phenyl]Ethanol
IUPAC Name: (1S)-1-[4-(trifluoromethyl)phenyl]ethanol | CAS Registry Number: 1737-26-4
Synonyms: ZINC02579184, ZINC02598073, CID7023586

Molecular Formula: C9H9F3OMolecular Weight: 190.162370 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: YMXIDIAEXNLCFT-LURJTMIESA-N

• 1, 10 Decanediol
IUPAC Name: decane-1,10-diol | CAS Registry Number: 112-47-0
Synonyms: Decamethylene glycol, 1,10-Decanediol, Decamethylenediol, Decane-1,10-diol, 1,10-Decamethylenediol, alpha,omega-Decanediol, 1,10-Dihydroxydecane, 1,10-Decamethylene diol, 1,6-Bis(2-hydroxyethyl)hexane, D1203_ALDRICH, .alpha.,.omega.-Decanediol, 30580_FLUKA, EINECS 203-975-2, NSC 17165, CID37153, NSC17165, BRN 1698975, SBB008880, ZINC01758367, AI3-09208

Molecular Formula: C10H22O2Molecular Weight: 174.280480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: FOTKYAAJKYLFFN-UHFFFAOYSA-N

• 1-Bromo-2-Phenylpropane
IUPAC Name: 1-bromopropan-2-ylbenzene | CAS Registry Number: 1459-00-3
Synonyms: beta-Bromocumene, Cumene, .beta.-bromo-, 2-Phenylpropyl bromide, 1-Bromo-2-phenylpropane, .beta.-Bromoisopropylbenzene, Benzene, (2-bromo-1-methylethyl)-, NSC43688, CID97813, EINECS 215-948-2

Molecular Formula: C9H11BrMolecular Weight: 199.087640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: XJWVCWQKZQENDS-UHFFFAOYSA-N

• 1,4-Cyclohexandione
IUPAC Name: cyclohexane-1,4-dione | CAS Registry Number: 637-88-7
Synonyms: 1,4-Cyclohexanedione, TETRAHYDROQUINONE, 1,4-Dioxocyclohexane, Cyclohexane-1,4-dione, 125423_ALDRICH, 29070_FLUKA, CHEBI:28286, NSC7192, NSC 7192, EINECS 211-306-0, c0554, STK335618, ZINC03860985, FR-2390, AI3-22410, TL8004488, C08063, InChI=1/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H

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

InChIKey: DCZFGQYXRKMVFG-UHFFFAOYSA-N

• 1,3-Bis(4-Nitrophenyl)Urea
IUPAC Name: 1,3-bis(4-nitrophenyl)urea | CAS Registry Number: 587-90-6
Synonyms: 4,4'-Dinitrocarbanilide, 4,4'-Dinitrodiphenylurea, N,N'-Di(p-nitrophenyl)urea, N,N'-Bis(p-nitrophenyl)urea, 1,3-Bis(4-nitrophenyl)urea, Carbanilide, 4,4'-dinitro-, 4',4''-Dinitrocarbanilide, Urea, N,N'-bis(4-nitrophenyl)-, N,N'-Bis(4-nitrophenyl)urea, Urea, 1,3-bis(p-nitrophenyl)-, 390151_ALDRICH, CID9509, EINECS 209-607-7, NSC101086, ZINC03843105, Carbanilide, 4,4'-dinitro- (8CI), NSC 101086, OR11132, NCGC00166218-01, AI3-28268

Molecular Formula: C13H10N4O5Molecular Weight: 302.242300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: JEZZOKXIXNSKQD-UHFFFAOYSA-N

• 1-benzyl-3-piperidone Hydrochloride Hydrate
IUPAC Name: 1-(phenylmethyl)piperidin-1-ium-3-one | CAS Registry Number: 50606-58-1
Synonyms: ZINC00119573, CID3527570

Molecular Formula: C12H16NO+Molecular Weight: 190.261540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BBQQULRBTOMLTC-UHFFFAOYSA-O

• 2,2,2-Trimethoxy-4,5-Dimethyl-1,3-Dioxaphospholene
IUPAC Name: 4,4,4-trimethoxy-1,2-dimethyl-3,5-dioxa-4$l^{5}-phosphacyclopentene | CAS Registry Number: 1665-79-8
Synonyms: NSC270090, CID74272, EINECS 216-779-7, ZINC04352554, NSC 270090, 1,3,2-Dioxaphosphole, 2,2-dihydro-2,2,2-trimethoxy-4,5-dimethyl-, 2,2,2-Trimethoxy-4,5-dimethyl-1,3-dioxaphospholene, 2,2-Dihydro-2,2,2-trimethoxy-4,5-dimethyl-1,3,2-dioxaphosphole, 2lambda5-1,3,2-Dioxaphosphole, 2,2,2-trimethoxy-4,5-dimethyl-

Molecular Formula: C7H15O5PMolecular Weight: 210.164761 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: FMHPXHSMBAZDOS-UHFFFAOYSA-N

• 2,2'-Dichlorobenzophenone
IUPAC Name: bis(2-chlorophenyl)methanone | CAS Registry Number: 5293-97-0
Synonyms: Methanone, bis(2-chlorophenyl)-, Benzophenone, 2,2'-dichloro-, NSC405580, CID347097, ZINC00156567, LT00455297

Molecular Formula: C13H8Cl2OMolecular Weight: 251.108020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DRDRZHJTTDSOPK-UHFFFAOYSA-N

• 1,1'-bis(diphenylphosphino)ferrocene
IUPAC Name: cyclopenta-2,4-dien-1-yl(diphenyl)phosphane; iron | CAS Registry Number: 12150-46-8
Synonyms: NSC238923

Molecular Formula: C34H20FeP2-10Molecular Weight: 546.315122 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 10

InChIKey: KNVAAITVNCIMBM-UHFFFAOYSA-N

• (Cyclopropylmethyl)triphenylphosphonium bromide
IUPAC Name: cyclopropylmethyl(triphenyl)phosphanium bromide | CAS Registry Number: 14799-82-7
Synonyms: EINECS 238-862-7, ST5408736

Molecular Formula: C22H22BrPMolecular Weight: 397.287841 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WFQSHRSBITUSIB-UHFFFAOYSA-M

• 1,4-Bromochlorobenzene
IUPAC Name: 1-bromo-4-chlorobenzene | CAS Registry Number: 106-39-8
Synonyms: p-Bromochlorobenzene, p-Chlorobromobenzene, 4-Chlorobromobenzene, 1-Bromo-4-chlorobenzene, Bromochlorobenzene, p-Chlorophenyl bromide, 4-Chlorophenyl bromide, 4-BROMOCHLOROBENZENE, Benzene, 1-bromo-4-chloro-, p-Bromophenyl chloride, 1-Chloro-4-bromobenzene, 4-Chloro-1-bromobenzene, B60428_ALDRICH, 442403_SUPELCO, 16660_FLUKA, EINECS 203-392-3, NSC 17587, NSC17587, AI3-15313, LS-29193

Molecular Formula: C6H4BrClMolecular Weight: 191.452960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: NHDODQWIKUYWMW-UHFFFAOYSA-N

• 1-Phenyl-1-Propanol
IUPAC Name: 1-phenylpropan-1-ol | CAS Registry Number: 93-54-9
Synonyms: Phenylpropanol, Gallenperlen, Phenycholon, 1-Phenyl-1-propanol, Epatoxfen, Felitrope, Phenychol, Phenylchol, Bilergon, Carbicol, Phenicol, Choleda, Felicur, Fenicol, Livonal, Unichol, Ejibil, Fepar, Phenylcholon, 1-Phenylpropanol

Molecular Formula: C9H12OMolecular Weight: 136.190980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DYUQAZSOFZSPHD-UHFFFAOYSA-N

• 4-Bromophenylacetylene
IUPAC Name: 1-bromo-4-ethynylbenzene | CAS Registry Number: 766-96-1
Synonyms: 1-Bromo-4-ethynylbenzene, Benzene, 1-bromo-4-ethynyl-, 206512_ALDRICH, CID136603, B180, ST5408831, InChI=1/C8H5Br/c1-2-7-3-5-8(9)6-4-7/h1,3-6

Molecular Formula: C8H5BrMolecular Weight: 181.029300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: LTLVZQZDXQWLHU-UHFFFAOYSA-N

• 10,12-tricosadiynoic Acid
IUPAC Name: tricosa-10,12-diynoic acid | CAS Registry Number: 66990-30-5
Synonyms: 10,12-Tricosadiynoic acid, tricosa-10,12-diynoic acid, SBB009036, AC1LBMJG, 10,12-Tricosadiynoicacid, ACMC-209nx8, Tricosa-10,12-diynoicacid, 91445_ALDRICH, AC1Q5W79, 91445_FLUKA, CTK2F2370, MolPort-003-939-688, ANW-35274, AR-1C0050, AKOS015839844, AG-G-53012, FT-0607184, I04-1671

Molecular Formula: C23H38O2Molecular Weight: 346.546620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DIEDVCMBPCRJFQ-UHFFFAOYSA-N

• 2,2',5,5'-Tetramethylbiphenyl
IUPAC Name: 2-(2,5-dimethylphenyl)-1,4-dimethylbenzene | CAS Registry Number: 3075-84-1
Synonyms: Biphenyl-, 2,2',5,5'-tetramethyl-, JFD01273, CID137818, 1,1'-Biphenyl, 2,2',5,5'-tetramethyl-

Molecular Formula: C16H18Molecular Weight: 210.314120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ZHTROMYSDSTCCE-UHFFFAOYSA-N

• 1-(2,4,6-Triisopropylbenzenesulfonyl)-1,2,4-triazole
IUPAC Name: 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-1,2,4-triazole | CAS Registry Number: 54230-60-3
Synonyms: ZINC00057639, EINECS 259-035-7, CID688654, 1-((2,4,6-Tris(isopropyl)phenyl)sulphonyl)-1H-1,2,4-triazole

Molecular Formula: C17H25N3O2SMolecular Weight: 335.464300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: BKJMMUUBRUWPPQ-UHFFFAOYSA-N

• 1-bromo-3-phenylpropane
IUPAC Name: 3-bromopropylbenzene | CAS Registry Number: 637-59-2
Synonyms: 3-Phenylpropyl bromide, (3-Bromopropyl)benzene, Benzene, (3-bromopropyl)-, 3-Bromo-1-phenylpropane, Hydrocinnamyl bromide, 3-bromo-propyl-benzene, (.gamma.-Bromopropyl)benzene, (gamma-Bromopropyl)benzene, 1-BROMO-3-PHENYLPROPANE, B77207_ALDRICH, 79020_FLUKA, EINECS 211-294-7, NSC133438, SBB008835, NSC 133438, TL8004479, 3-BROMOPROPYL-BENZENE (1-PHENYL,3-BROMOPROPANE), InChI=1/C9H11Br/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H

Molecular Formula: C9H11BrMolecular Weight: 199.087640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: XMZQWZJMTBCUFT-UHFFFAOYSA-N

• 1-(3-Trifluoromethylphenyl)piperazine monohydrochloride
IUPAC Name: 1-[3-(trifluoromethyl)phenyl]piperazine hydrochloride | CAS Registry Number: 16015-69-3
Synonyms: TFMPP, TFMPP hydrochloride, (TFMPP), MLS000758206, MLS001424035, SPECTRUM1503633, T8948_SIGMA, EINECS 240-153-2, SBB003064, NCGC00095853-01, CPD000449305, SAM001247043, SMR000449305, LS-192364, TL8001212, 1-(3-(Trifluoromethyl)phenyl)piperazinium chloride, N-[3-(Trifluoromethyl)phenyl]piperazine hydrochloride, N-(3-TRIFLUOROMETHYLPHENYL)PIPERAZINE HYDROCHLORIDE, 1-(alpha,alpha,alpha-Trifluoro-m-tolyl)piperazine hydrochloride

Molecular Formula: C11H14ClF3N2Molecular Weight: 266.690470 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: DGNLGWJZZZOYPT-UHFFFAOYSA-N

• 1-Chloro-3-Iodopropane
IUPAC Name: 1-chloro-3-iodopropane | CAS Registry Number: 6940-76-7
Synonyms: 1-Chloro-3-iodopropane, Iodopropanes, 3-Chloropropyl iodide, Propane, 1-chloro-3-iodo-, Trimethylene chloroiodide, 234478_ALDRICH, NSC60189, CID81363, EINECS 230-088-8, NSC 60189, InChI=1/C3H6ClI/c4-2-1-3-5/h1-3H

Molecular Formula: C3H6ClIMolecular Weight: 204.437210 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SFOYQZYQTQDRIY-UHFFFAOYSA-N

• 2-Methylthio Pyrazine
IUPAC Name: 2-methylsulfanylpyrazine | CAS Registry Number: 21948-70-9
Synonyms: Pyrazine, (methylthio)-, 2-(Methylthio)pyrazine, 2-(Methylsulfanyl)pyrazine, W323101_ALDRICH, ZINC00156980

Molecular Formula: C5H6N2SMolecular Weight: 126.179540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KBPBOWBQRUXMFV-UHFFFAOYSA-N

• (±)-3-Phenyllactic acid
IUPAC Name: 2-hydroxy-3-phenylpropanoic acid | CAS Registry Number: 828-01-3
Synonyms: 3-Phenyllactic acid, DL-3-Phenyllactic acid, DL-Phenyllactic acid, DL-beta-Phenyllactic acid, L-beta-Phenyllactic acid, Lactic acid, 3-phenyl-, DL-.beta.-Phenyllactic acid, (R)-3-Phenyllactic acid, (1)-3-Phenyllactic acid, 2-Hydroxy-3-phenylpropanoic acid, Lactic acid, 3-phenyl-, DL-, DL-alpha-Hydroxycinnamic acid, L-(-)-3-Phenyllactic acid, P7251_SIGMA, Ba 2653, DL-.alpha.-Hydroxycinnamic acid, CHEBI:25998, NSC2627, DL-alpha-Hydroxyhydrocinnamic acid, NSC 2627

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VOXXWSYKYCBWHO-UHFFFAOYSA-N

• 1-iodononane
IUPAC Name: 1-iodononane | CAS Registry Number: 4282-42-2
Synonyms: n-Nonyl iodide, Nonyl iodide, 1-Iodononane, Nonane, 1-iodo-, 1-n-Nonyl iodide, IODONONANE, 251860_ALDRICH, NSC5520, NSC 5520, EINECS 224-286-3, 6683-07-4

Molecular Formula: C9H19IMolecular Weight: 254.151630 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: OGSJMFCWOUHXHN-UHFFFAOYSA-N

• 2,2-Dimethyl-4-Phenyl-2h-Imidazole-1-Oxide
IUPAC Name: 2,2-dimethyl-1-oxido-4-phenylimidazol-1-ium | CAS Registry Number: 123557-86-8
Synonyms: ZINC02512309, CID2724892, LT00255975

Molecular Formula: C11H12N2OMolecular Weight: 188.225780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MGZHFNJKNFACFZ-UHFFFAOYSA-N

• 1-(4-Chlorophenyl)-1-cyclohexanecarboxylic acid
IUPAC Name: 1-(4-chlorophenyl)cyclohexane-1-carboxylic acid | CAS Registry Number: 58880-37-8
Synonyms: EINECS 261-481-2, SBB003226, 1-(4-Chlorophenyl)cyclohexanecarboxylic acid, 1-(4-Chlorophenyl)cyclohexane-1-carboxylic acid, 1-(4-Chlorophenyl)-1-cyclohexane-carboxylic acid

Molecular Formula: C13H15ClO2Molecular Weight: 238.710000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UPNXUJXIIZGXLQ-UHFFFAOYSA-N

• 1-phenyl-1-propyne
IUPAC Name: prop-1-ynylbenzene | CAS Registry Number: 673-32-5
Synonyms: Methylphenylacetylene, 1-Phenyl-1-propyne, 1-Propynylbenzene, Prop-1-ynylbenzene, 1-Phenylpropyne-1, Benzene, 1-propynyl-, ghl.PD_Mitscher_leg0.471, 161241_ALDRICH, CID69601, EINECS 211-607-7, TL8004745, InChI=1/C9H8/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,1H

Molecular Formula: C9H8Molecular Weight: 116.159820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: GHUURDQYRGVEHX-UHFFFAOYSA-N

• (Methylthiomethyl)triphenylphosphonium Chloride
IUPAC Name: methylsulfanylmethyl(triphenyl)phosphanium chloride | CAS Registry Number: 1779-54-0
Synonyms: EINECS 217-221-5, CID3083732, ((Methylthio)methyl)triphenylphosphonium chloride, ST5407821

Molecular Formula: C20H20ClPSMolecular Weight: 358.864561 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CREBIKHUZHBYJU-UHFFFAOYSA-M

• 1-Methyl-1,2,4-Triazole
IUPAC Name: 1-methyl-1,2,4-triazole | CAS Registry Number: 6086-21-1
Synonyms: 1-Methyl-1H-1,2,4-triazole, 1-METHYLTRIAZOLE, 1-Methyl-1,2,4-triazole, 1H-1,2,4-Triazole, 1-methyl-, ZINC02034214, CID22459, InChI=1/C3H5N3/c1-6-3-4-2-5-6/h2-3H,1H

Molecular Formula: C3H5N3Molecular Weight: 83.091900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: MWZDIEIXRBWPLG-UHFFFAOYSA-N

• 4-AminoPhenyl Ethanol
IUPAC Name: 1-(4-aminophenyl)ethanol | CAS Registry Number: 14572-89-5
Synonyms: 1-(4-Aminophenyl)ethanol, 4-(1-Hydroxyethyl)aniline, 4-Amino-alpha-methylbenzyl alcohol, 544388_ALDRICH, ALBB-006236, EINECS 238-613-2, STK340144

Molecular Formula: C8H11NOMolecular Weight: 137.179040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JDEYBJHOTWGYFE-UHFFFAOYSA-N

• (S)-(-)-2-Hydroxy-1,2,2-triphenylethyl acetate
IUPAC Name: [(1S)-2-hydroxy-1,2,2-tri(phenyl)ethyl] acetate | CAS Registry Number: 95061-51-1
Synonyms: ZINC00155327

Molecular Formula: C22H20O3Molecular Weight: 332.392400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GXLZCXZLVDUDHP-NRFANRHFSA-N

• 1, 4 -Phenylene Diacetic Acid
IUPAC Name: 2-[4-(carboxymethyl)phenyl]acetic acid | CAS Registry Number: 7325-46-4
Synonyms: p-Phenylenediacetic acid, 1,4-Phenylenediacetic acid, 1.4-Phenylenediacetic acid, P23407_ALDRICH, 78470_FLUKA, CID81760, EINECS 230-801-2, ST5437185

Molecular Formula: C10H10O4Molecular Weight: 194.184000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: SLWIPPZWFZGHEU-UHFFFAOYSA-N

• 2,2-Diphenylacetamide
IUPAC Name: 2,2-diphenylacetamide | CAS Registry Number: 4695-13-0
Synonyms: Diphenylacetic acid amide, Acetamide, 2,2-diphenyl-, Mercaptoisobutyric acid, alpha-Phenylbenzeneacetamide, alpha,alpha-Diphenylacetamide, WLN: ZVYR&R, Benzeneacetamide, .alpha.-phenyl-, Benzeneacetamide, alpha-phenyl-, AKL-PFB-009435, NSC 29731, .alpha.,.alpha.-Diphenylacetamide, CID78420, NSC29731, BRN 1871583, STK415415, ZINC00396436, Benzeneacetamide, alpha-phenyl- (9CI), LS-9438, EC-000.2142, 4-09-00-02501 (Beilstein Handbook Reference)

Molecular Formula: C14H13NOMolecular Weight: 211.259120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ZXQVXEAZKZFEEP-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

• (2r,3r)-2,3-Butanediol
IUPAC Name: (2R,3R)-butane-2,3-diol | CAS Registry Number: 24347-58-8
Synonyms: butanediol, 2,3-butanediol, (R,R)-2,3-butanediol, 2,3-butylene glycol, (R,R)-Butane-2,3-diol, (R,R)-2,3-Butylene glycol, D(-)-2,3-butanediol, D-2,3-BUTANEDIOL, 237639_ALDRICH, (2R,3R)-butane-2,3-diol, CHEBI:16982, (R,R)-(-)-Butane-2,3-diol, NSC15829, (2R,3R)-(-)-2,3-Butanediol, ZINC00901616, TL8002002, (2R,3R)-(−)-2,3-Butanediol, C03044, BU3, 513-85-9

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

InChIKey: OWBTYPJTUOEWEK-QWWZWVQMSA-N

• 1-(tert-Butoxycarbonyl)indole-2-boronic acid
IUPAC Name: [1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid | CAS Registry Number: 213318-44-6
Synonyms: N-Boc-indole-2-boronic acid, 1-Boc-indole-2-boronic acid, ZERO/004903, 675911_ALDRICH, B2000G1, CID2773302, N-(tert-butoxycarbonyl)indole-2-boronic acid, TL80073575, 1-(tert-butoxycarbonyl)indole-2-boronic acid, [N-(tert-Butoxycarbonyl)indol-2-yl]boronic acid, A4137/0176383

Molecular Formula: C13H16BNO4Molecular Weight: 261.081440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: SVIBPSNFXYUOFT-UHFFFAOYSA-N

• 2,2-Diethyl-1,3-Propanediol
IUPAC Name: 2,2-diethylpropane-1,3-diol | CAS Registry Number: 115-76-4
Synonyms: Prenderol, Dietilpropandiolo, Penderol, Prendiol, 2,2-Diethylpropanediol, Di-aethyl-propanediol, DEP (VAN), 1,3-Propanediol, 2,2-diethyl-, 2,2-Diethylpropanediol-1,3, 2,2-DIETHYL-1,3-PROPANEDIOL, 3,3-Bis(hydroxymethyl)pentane, Di-aethyl-propanediol [German], D100005_ALDRICH, 2,2-Diethylpropane-1,3-diol, EINECS 204-103-3, MC 1415, CID8284, NSC 12211, NSC12211, BRN 1697711

Molecular Formula: C7H16O2Molecular Weight: 132.200740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XRVCFZPJAHWYTB-UHFFFAOYSA-N

• 3-Iodo nitrobenzene
IUPAC Name: 1-iodo-3-nitrobenzene | CAS Registry Number: 645-00-1
Synonyms: 3-Iodonitrobenzene, 1-Iodo-3-nitrobenzene, M-IODONITROBENZENE, Benzene, 1-iodo-3-nitro-, 1-Iiodo-3-nitrobenzene, ghl.PD_Mitscher_leg0.931, 144495_ALDRICH, NSC 3538, EINECS 211-427-9, NSC3538, ZINC01666833, AI3-15390, LS-1548, NCGC00091693-01, TL8004576, InChI=1/C6H4INO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4

Molecular Formula: C6H4INO2Molecular Weight: 249.005930 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CBYAZOKPJYBCHE-UHFFFAOYSA-N

• 1,3 Phenylene Diacetic Acid
IUPAC Name: 2-[3-(carboxymethyl)phenyl]acetic acid | CAS Registry Number: 19806-17-8
Synonyms: m-Benzenediacetic acid, m-Phenylenediacetic acid, 1,3-Benzenediacetic acid, 1,3-Phenylenediacetic acid, WLN: QV1R C1VQ, P23350_ALDRICH, EINECS 243-332-3, NSC 75867, 1,3-Benzenediacetic acid (9CI), CID29788, NSC75867, BRN 2616749, ACETIC ACID, 2,2'-(m-PHENYLENE)DI-, LS-12735, 3-09-00-04294 (Beilstein Handbook Reference)

Molecular Formula: C10H10O4Molecular Weight: 194.184000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: GDYYIJNDPMFMTB-UHFFFAOYSA-N

• (S)-1-Amino-1,2,3,4-tetrahydronaphthalene
IUPAC Name: (1S)-1,2,3,4-tetrahydronaphthalen-1-amine | CAS Registry Number: 23357-52-0
Synonyms: (S)-1,2,3,4-tetrahydro-1-naphthylamine, (S)-(+)-1,2,3,4-Tetrahydro-1-naphthylamine, (1S)-1,2,3,4-tetrahydronaphthalen-1-amine, (S)-(+)-1-Aminotetraline, (S)-1-AMINOTETRALINE, (S)-1,2,3,4-Tetrahydronaphthalen-1-amine, (S)-(+)-1-AminoTetralin(R), AG-E-59737, (S)-1-Amino-1,2,3,4-tetrahydro-naphthalene, (S)-(+)-1-Amino-1,2,3,4-tetrahydronaphthalene, (S)-1-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE, (S)-(+)-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YLAMINE, 1,2,3,4-Tetrahydro-naphthalen-1-ylamine, AC1OEJUP, PubChem11534, S-THAN, SureCN44600, AC1Q4UC1, (S)-1-AMINOTETRALIN, CHEMBL39537

Molecular Formula: C10H13NMolecular Weight: 147.216920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: JRZGPXSSNPTNMA-JTQLQIEISA-N

• 2',4-Dihydroxy-4',6'-Dimethoxychalcone
IUPAC Name: (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one | CAS Registry Number: 56798-34-6
Synonyms: Flavokawain C, flavokawin, CHEBI:518539, ZINC04100761, CPD-7126, LMPK12120320, CID6293081, LT00847919, AQ-358/42003063, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one

Molecular Formula: C17H16O5Molecular Weight: 300.305940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: UXUFMIJZNYXWDX-VMPITWQZSA-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

• 1,2-Dimethoxy-4-Propylbenzene
IUPAC Name: 1,2-dimethoxy-4-propylbenzene | CAS Registry Number: 5888-52-8
Synonyms: 4-Propylveratrole, Veratrole, 4-propyl-, 3,4-Dimethoxyphenylpropane, 3,4-Dimethoxypropylbenzene, 1,2-Dimethoxy-4-propylbenzene, Benzene, 1,2-dimethoxy-4-propyl-, 1,2-Dimethoxy-4-N-propylbenzene, BRN 2556708, SBB007804, AI3-20939, FR-0365, LS-29887, 4-06-00-05977 (Beilstein Handbook Reference)

Molecular Formula: C11H16O2Molecular Weight: 180.243540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YXLFQKUIZVSIEP-UHFFFAOYSA-N

• 3-Bromo(trifluoromethoxy)benzene
IUPAC Name: 1-bromo-3-(trifluoromethoxy)benzene | CAS Registry Number: 2252-44-0
Synonyms: 3-(Trifluoromethoxy)bromobenzene, 343870_ALDRICH, 1-Bromo-3-(trifluoromethoxy)benzene, JRD-0317, ZINC00056741, ST5306897, TL8001889, Anisole, m-bromo-.alpha..alpha..alpha.-trifluoro-, InChI=1/C7H4BrF3O/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4

Molecular Formula: C7H4BrF3OMolecular Weight: 241.005270 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: WVUDHWBCPSXAFN-UHFFFAOYSA-N

• 1-Hydroxyadamantane
IUPAC Name: adamantan-1-ol | CAS Registry Number: 768-95-6
Synonyms: 1-Adamantanol, 1-Adamantol, Adamantan-1-ol, Ambap2129, 130346_ALDRICH, 54191_FLUKA, EINECS 212-202-8, NSC 91633, NSC 108837, Tricyclo(3.3.1.13,7)decan-1-ol, NSC91633, NSC108837, ZINC01297856, Tricyclo[3.3.1.1(3,7)]decan-1-ol, AI3-61285, SDCCGMLS-0066229.P001, Tricyclo[3.3.1.13,7]decan-1-ol, LS-15042, tricyclo[3.3.1.1~3,7~]decan-1-ol, ST5182315

Molecular Formula: C10H16OMolecular Weight: 152.233440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VLLNJDMHDJRNFK-UHFFFAOYSA-N


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