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• A-Methylnaphthalene
IUPAC Name: 1-methylnaphthalene | CAS Registry Number: 90-12-0
Synonyms: 1-METHYLNAPHTHALENE, alpha-Methylnaphthalene, Naphthalene, 1-methyl-, Methyl naphthalene, Polymethylnaphthalene, .alpha.-Methylnaphthalene, 1-Methyl naphthalene, Naphthalene, methyl-, alpha-methyl naphthalenes, FEMA Number 3193, Naphthalene, alpha-methyl-, FEMA No. 3193, CCRIS 6151, M56808_ALDRICH, HSDB 5268, W319309_ALDRICH, 442430_SUPELCO, 45795_RIEDEL, WLN: L66J B1, NSC 3574

Molecular Formula: C11H10Molecular Weight: 142.197100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QPUYECUOLPXSFR-UHFFFAOYSA-N

• Acerola
IUPAC Name: [(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol | CAS Registry Number: 4097-22-7
Synonyms: dideoxyadenosine, ddAdo, 2',3'-Dideoxyadenosine, ddA (Antiviral), ddA & GM-CSF, CCRIS 428, MLS001055366, D1285_SIGMA, NSC-98700, ADENOSINE, 2',3'-DIDEOXY-, EINECS 223-853-2, NSC 98700, AIDS000003, AIDS000887, C10H13N5O2, AIDS-000003, AIDS-000887, DRG-0039, NSC98700, BRN 0619924

Molecular Formula: C10H13N5O2Molecular Weight: 235.242520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: WVXRAFOPTSTNLL-NKWVEPMBSA-N

• Acetic Acid, [(2-Furanylmethyl)sulfinyl]-
IUPAC Name: 2-(furan-2-ylmethylsulfinyl)acetic acid | CAS Registry Number: 108499-26-9
Synonyms: 2-[(2-Furanylmethyl)sulfinyl]acetic acid, Acetic acid, [(2-furanylmethyl)sulfinyl]-, Acetic acid,2-[(2-furanylmethyl)sulfinyl]-, ACMC-20mbjx, SureCN9519142, AGN-PC-0020IM, ACE024, CTK4A6067, AKOS006289961, 2-(2-furanylmethylsulfinyl)acetic acid, AC-5763, AG-D-24946, AK139285, 2-(furan-2-ylmethylsulfinyl)ethanoic acid, 2-((Furan-2-ylmethyl)sulfinyl)acetic acid, KB-166336, A801886, I14-37514, Aceticacid, [(2-furanylmethyl)sulfinyl]- (9CI);2-(Furfurylsulfinyl)acetic acid;

Molecular Formula: C7H8O4SMolecular Weight: 188.201020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: BMFMTNROJASFBW-UHFFFAOYSA-N

• Acetoacet O-Chloranilide
IUPAC Name: N-(2-chlorophenyl)-3-oxobutanamide | CAS Registry Number: 93-70-9
Synonyms: AAoC, o-Chloroacetoacetanilide, Acetoacet-o-chloranilide, o-Acetoacetochloroanilide, Acetoacet-o-chloroanilide, 2'-Chloroacetoacetanilide, o-Acetoacetochloranilide, Acetoacetyl-o-chloroanilide, Acetoacet-o-chloroacetanilide, Acetoacetyl-2-chloroanilide, N-Acetoacetyl-2-chloroaniline, Acetoacetanilide, o-chloro-, Maybridge1_002473, N-(2-Chlorophenyl)acetoacetamide, ACETOACETANILIDE, 2'-CHLORO-, DivK1c_001225, Butanamide, N-(2-chlorophenyl)-3-oxo-, NSC 3913, EINECS 202-269-1, 3-Oxo-N-(2-chlorophenylbutanamide)

Molecular Formula: C10H10ClNO2Molecular Weight: 211.644900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BFVHBHKMLIBQNN-UHFFFAOYSA-N

• Acetoguanamine
IUPAC Name: 6-methyl-1,3,5-triazine-2,4-diamine | CAS Registry Number: 542-02-9
Synonyms: 2,4-Diamino-6-methyl-1,3,5-triazine, NSC 257, ENT 50715, 407801_ALDRICH, NSC257, s-Triazine, 2,4-diamino-6-methyl-, EINECS 208-796-3, 1,3,5-Triazine-2,4-diamine, 6-methyl-, 2-Methyl-4,6-diamino-1,3,5-triazine, 6-Methyl-1,3,5-triazine-2,4-diamine, ZINC01555389, 2,4-DIAMINO-6-METHYL-S-TRIAZINE, AI3-50715, 6-Methyl-1,3,5-triazine-2,4-diyldiamine, LS-168045, s-Triazine, 2,4-diamino-6-methyl- (8CI), InChI=1/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9

Molecular Formula: C4H7N5Molecular Weight: 125.131880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: NJYZCEFQAIUHSD-UHFFFAOYSA-N

• Acetone Cyanohydrine
IUPAC Name: 2-hydroxy-2-methylpropanenitrile | CAS Registry Number: 75-86-5
Synonyms: ACETONE CYANOHYDRIN, Acetone cyanhydrin, 2-Methyllactonitrile, 2-Hydroxyisobutyronitrile, Acetoncianidrina, Acetoncyanhydrin, Acetonkyanhydrin, 2-Cyano-2-propanol, Acetoncianhidrinei, Acetoncyaanhydrine, Acetonecyanhydrine, alpha-Hydroxyisobutyronitrile, acetone-cyanohydrin, 2-Hydroxy-2-methylpropanenitrile, 2-Propanone, cyanohydrin, Lactonitrile, 2-methyl-, 2-Cyano-2-hydroxypropane, Cyanhydrine d'acetone, USAF RH-8, Acetonkyanhydrin [Czech]

Molecular Formula: C4H7NOMolecular Weight: 85.104480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MWFMGBPGAXYFAR-UHFFFAOYSA-N

• Acetyl J Acid
IUPAC Name: 7-acetamido-4-hydroxynaphthalene-2-sulfonic acid | CAS Registry Number: 6334-97-0
Synonyms: NSC7567, CID80629, NSC 7567, EINECS 228-715-5, 2-Acetamido-5-hydroxy-7-naphthalenesulfonic acid, 2-Acetylamino-5-hydroxy-7-naphthalenesulfonic acid, 2-Naphthalenesulfonic acid, 7-(acetylamino)-4-hydroxy-, 7-Acetamido-4-hydroxynaphthalene-2-sulphonic acid, 2-Naphthalenesulfonic acid, 7-acetamido-4-hydroxy-, 2-Naphthalenesulfonic acid, 7-acetamido-4-hydroxy- (8CI)

Molecular Formula: C12H11NO5SMolecular Weight: 281.284440 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: KKAMNIDZQVXDJV-UHFFFAOYSA-N

• Alpha-Naphthylacetic Acid
IUPAC Name: 2-naphthalen-1-ylacetic acid | CAS Registry Number: 86-87-3
Synonyms: Transplantone, Alphaspra, Fruitofix, Klingtite, Planofixe, Phyomone, Planofix, Primacol, Celmone, Stafast, Tekkam, 1-Naphthylacetic acid, Liqui-stik, Regenasol, Floramon, Hormofix, Nafusaku, Pimacol-Sol, Rhodofix, Agronaa

Molecular Formula: C12H10O2Molecular Weight: 186.206600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PRPINYUDVPFIRX-UHFFFAOYSA-N

• Amino Ethyl Ethanolamine
IUPAC Name: 2-(2-aminoethylamino)ethanol | CAS Registry Number: 111-41-1
Synonyms: Aminoethylethanolamine, Monoethanolethylenediamine, Ethanolethylene diamine, N-Aminoethylethanolamine, N-(Aminoethyl)ethanolamine, (2-Aminoethyl)ethanolamine, N-(2-Aminoethyl)ethanolamine, 2-(2-Aminoethylamino)ethanol, N-Aminoethyl ethanolamine, N-(Hydroxyethyl)ethylenediamine, Hydroxyethyl ethylenediamine, (2-Hydroxyethyl)ethylenediamine, N-(2-Hydroxyethyl)ethylenediamine, AMINOETHYL ETHANOLAMINE, 2-((Aminoethyl)amino)ethanol, N-Hydroxyethyl-1,2-ethanediamine, CCRIS 4825, WLN: Z2M2Q, Ethanol, 2-[(2-aminoethyl)amino]-, HSDB 2067

Molecular Formula: C4H12N2OMolecular Weight: 104.150880 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: LHIJANUOQQMGNT-UHFFFAOYSA-N

• Amino Mercapto Thiadiazole
IUPAC Name: 5-amino-3H-1,3,4-thiadiazole-2-thione | CAS Registry Number: 2349-67-9
Synonyms: USAF PD-25, 2-Amino-5-mercapto-1,3,4-thiadiazole, 5-Amino-1,3,4-thiadiazole-2-thiol, CCRIS 6893, WLN: T5NN DSJ CZ ESH, 127906_ALDRICH, 2-Thiol-5-amino-1,3,4-thiadiazole, EINECS 219-078-4, 1,3,4-Thiadiazole-2(3H)-thione, 5-amino-, 2-Mercapto-5-amino-1,3,4-thiadiazole, 5-Amino-1,3,4-thiadiazoline-2-thione, 5-Amino-2-mercapto-1,3,4-thiadiazole, NSC 21402, 1,3,4-Thiadiazole-2-thiol, 5-amino-, AIDS020333, NSC 209061, AIDS-020333, NSC21402, NSC209061, SBB007565

Molecular Formula: C2H3N3S2Molecular Weight: 133.195320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: GDGIVSREGUOIJZ-UHFFFAOYSA-N

• Amino Trimethylene Phosphonic Acid
IUPAC Name: [bis(phosphonomethyl)amino]methylphosphonic acid | CAS Registry Number: 6419-19-8
Synonyms: Ferrofos 509, Dowell L 37, Dequest 2000, Tris(phosphonomethyl)amine, Nitrilotrimethylphosphonic acid, Aminotri(methylphosphonic acid), Nitrilotrimethanephosphonic acid, Aminotris(methylphosphonic acid), Aminotrimethylene phosphonic acid, Aminotris(methanephosphonic acid), Nitrilotrimethylenephosphonic acid, Aminotri(methylenephosphonic acid), 144797_ALDRICH, Aminotri(methylene phosphonic acid), 72568_FLUKA, EINECS 229-146-5, Nitrilotri(methylphosphonic acid), Nitrilotris(methylenephosphonic acid), Amino, tris(methylene phosphonic acid), Nitrilotrimethylenetris(phosphonic acid)

Molecular Formula: C3H12NO9P3Molecular Weight: 299.049963 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 10

InChIKey: YDONNITUKPKTIG-UHFFFAOYSA-N

• Amino-G-Acid
IUPAC Name: 7-aminonaphthalene-1,3-disulfonic acid | CAS Registry Number: 86-65-7
Synonyms: Amido-G-acid, Amino-G acid, Ambap4444, 2-Amino-6,8-disulfonaphthalene, 7Am-Naphth-1,3diSO3H, 7-Amino-1,3-naphthalenedisulfonic acid, NSC 4013, EINECS 201-689-2, 2-Aminonaphthalene-6,8-disulfonic acid, NSC4013, AIDS004873, 1,3-Naphthalenedisulfonic acid, 7-amino-, AIDS-004873, beta-Naphthylamine-6,8-disulfonic acid, BRN 2669649, 2-NAPHTHYLAMINE-6,8-DISULFONIC ACID, 7-Aminonaphthalene-1,3-disulphonic acid, AI3-28530, .beta.-Naphthylamine-6,8-disulfonic acid, LS-94624

Molecular Formula: C10H9NO6S2Molecular Weight: 303.311560 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: CMOLPZZVECHXKN-UHFFFAOYSA-N

• Aminoacetaldehyde Dimethyl Acetal
IUPAC Name: 2,2-dimethoxyethanamine | CAS Registry Number: 22483-09-6
Synonyms: 2,2-Dimethoxyethylamine, Aminoacetaldehyde dimethyl acetal, 2,2-Dimethoxyethanamine, Ethanamine, 2,2-dimethoxy-, DIMETHYLAMINOACETAL, 121967_ALDRICH, CID89728, NSC73701, EINECS 245-026-5, NSC 73701, Acetaldehyde, amino-, dimethyl acetal, SB 01204, Acetaldehyde, amino-, dimethyl acetal (8CI), A-4900, InChI=1/C4H11NO2/c1-6-4(3-5)7-2/h4H,3,5H2,1-2H

Molecular Formula: C4H11NO2Molecular Weight: 105.135640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QKWWDTYDYOFRJL-UHFFFAOYSA-N

• Anthraquinone Sulfonates
IUPAC Name: 9,10-dioxoanthracene-1-sulfonic acid | CAS Registry Number: 82-49-5
Synonyms: Anthraquinone sulfonate, Anthraquinone 1-sulfonate, 1-Anthraquinonesulfonic acid, alpha-SULFOANTHRAQUINONE, Anthraquinone-2-sulfonic acid, 9,10-Anthraquinone-2-sulfonate, AIDS018322, AIDS-018322, EINECS 201-427-7, EINECS 254-053-1, ANTHRAQUINONE-1-SULFONIC ACID, 9,10-Dioxoanthracene-1-sulphonic acid, 9,10-Dihydro-9,10-dioxoanthracenesulfonic acid, 9,10-dioxo-9,10-dihydro-1-anthracenesulfonic acid, Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, Potassium 9,10-dihydro-9,10-dioxoanthracenesulphonate, 1-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, 128-56-3, 30637-95-7, 38641-06-4

Molecular Formula: C14H8O5SMolecular Weight: 288.275320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: JAJIPIAHCFBEPI-UHFFFAOYSA-N

• At-Tba
IUPAC Name: (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyiminoacetate | CAS Registry Number: 86299-47-0
Synonyms: ZINC02149454, CID7004190

Molecular Formula: C13H18N3O5S-Molecular Weight: 328.364120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: FNRZBOJFRDVEOG-LZYBPNLTSA-M

• B-Naphthyl Ethyl Ether
IUPAC Name: 2-ethoxynaphthalene | CAS Registry Number: 93-18-5
Synonyms: Neroline, Bromelia, Nerolin, Nerolin new, Nerolin II, Bromelia (compound), Naphthalene, 2-ethoxy-, Nerolin bromelia, Ethyl 2-naphthyl ether, Nerolin (new), 2-Naphthol ethyl ether, 2-ETHOXYNAPHTHALENE, Ethyl beta-naphtholate, beta-Naphthol ethyl ether, beta-Naphthyl ethyl ether, Ethyl beta-naphthyl ether, .beta.-Naphthol ethyl ether, Ethyl .beta.-naphtholate, FEMA No. 2768, CCRIS 7578

Molecular Formula: C12H12OMolecular Weight: 172.223080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GUMOJENFFHZAFP-UHFFFAOYSA-N

• Benzazepine Acetate
• Benzofuran
IUPAC Name: 1-benzofuran | CAS Registry Number: 271-89-6
Synonyms: Coumarone, BENZOFURAN, Benzofurfuran, 2,3-Benzofuran, 1-Benzofuran, Coumaron, Cumarone, Benzo(b)furan, Benzo[b]furan, 1-Oxindene, Cumaron, 1-Oxidene, Benzofuran (IUPAC), B8002_ALDRICH, CCRIS 2384, NCI-C56166, WLN: T56 BOJ, HSDB 4173, NSC 1255, CHEBI:35260

Molecular Formula: C8H6OMolecular Weight: 118.132640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IANQTJSKSUMEQM-UHFFFAOYSA-N

• Benzophenone-1
IUPAC Name: (2,4-dihydroxyphenyl)-phenylmethanone | CAS Registry Number: 131-56-6
Synonyms: Benzoresorcinol, Resbenzophenone, Inhibitor DHBP, Advastab 48, Uvistat 12, 4-Benzoyl resorcinol, Uvinol 400, Uvinul 400, Quinsorb 010, Syntase 100, Eastman Inhibitor DHPB, Dastib 263, DHBP cpd, 4-Benzoylresorcinol, Benzophenone, 2,4-dihydroxy-, 2,4-DIHYDROXYBENZOPHENONE, Enamine_001926, UF 1, USAF DO-28, USAF ND-54

Molecular Formula: C13H10O3Molecular Weight: 214.216700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ZXDDPOHVAMWLBH-UHFFFAOYSA-N

• Benzophenone-2
IUPAC Name: bis(2,4-dihydroxyphenyl)methanone | CAS Registry Number: 131-55-5
Synonyms: Uvinol D-50, Uvinul D-50, 2,2',4,4'-Tetrahydroxybenzophenone, Methanone, bis(2,4-dihydroxyphenyl)-, Oprea1_250768, T16403_ALDRICH, Bis(2,4-dihydroxyphenyl)methanone, 2,4,2',4'-Tetrahydroxybenzophenone, 2,2',4,4'-hydroxybenophenone, EINECS 205-028-9, NSC 38556, 2,2',4,4'-Tetrahydroxy-benzophenone, BENZOPHENONE, 2,2',4,4'-TETRAHYDROXY-, NSC38556, 2,2'4,4'-Tetrahydroxybenzophenone, BRN 1914746, SBB003178, ZINC00039103, LS-38951, 4-08-00-03505 (Beilstein Handbook Reference)

Molecular Formula: C13H10O5Molecular Weight: 246.215500 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: WXNRYSGJLQFHBR-UHFFFAOYSA-N

• Beta Methyl Naphthyl Ketone
IUPAC Name: 1-naphthalen-2-ylethanone | CAS Registry Number: 93-08-3
Synonyms: Acetonaphthone, 2'-Acetonaphthone, 2-Acetonaphthone, Oranger cyrstals, 2-Acetylnaphthalene, Oranger crystals, Cetone D, 2-Naphthyl methyl ketone, beta-Acetonaphthalene, Methyl 2-naphthyl ketone, beta-Acetylnaphthalene, Methyl beta-naphthyl ketone, Ketone, methyl 2-naphthyl, .beta.-Acetonaphthone, 1-(2-Naphthyl)ethanone, .beta.-Acetonaphthalene, .beta.-Acetylnaphthalene, beta-Naphthyl methyl ketone, Ethanone, 1-(2-naphthalenyl)-, 1-(Naphthyl)ethan-1-one

Molecular Formula: C12H10OMolecular Weight: 170.207200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XSAYZAUNJMRRIR-UHFFFAOYSA-N

• Bis Maleimide Di Phenyl Methane
IUPAC Name: 1-[4-[[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl]phenyl]pyrrole-2,5-dione | CAS Registry Number: 13676-54-5
Synonyms: Bismaleimide, Bismaleimide S, Diphenylmethanebismaleimide, p,p'-Dimaleimidodiphenylmethane, Bis(p-maleimidophenyl)methane, Bis(4-maleimidophenyl)methane, p,p'-Dimaleimidophenylmethane, 4,4'-Dimaleimidodiphenylmethane, 4,4'-Diphenylmethanedimaleimide, 4,4'-Biphenylmethanebismaleimide, 4,4'-Diphenylmethanebismaleimide, 4,4'-Dimaleimidophenylmethane, CCRIS 2901, 4,4'-Methylenebis(phenylmaleimide), Bismaleimide, 4,4'-diphenylmethane, XU 292A, 4,4'-Bis(maleimidophenyl)methane, 4,4'-Methylenedianiline bismaleimide, 4,4-Bis(maleimido)diphenylmethane, p,p'-Methylenebis(N-phenylmaleimide)

Molecular Formula: C21H14N2O4Molecular Weight: 358.346860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: XQUPVDVFXZDTLT-UHFFFAOYSA-N

• Bit (1,2-Benzisothiazolin-3-One)
IUPAC Name: 1,2-benzothiazol-3-one | CAS Registry Number: 2634-33-5
Synonyms: Proxan, Proxel PL, Proxel, benzisothiazolone, Caswell No. 079A, Caswell No. 513A, 1,2-Benzisothiazol-3(2H)-one, C7H5NOS, 1,2-Benzisothiazolin-3-one, 1,2-Benzisothiazoline-3-one, CCRIS 6369, MLS000771034, 561487_ALDRICH, EINECS 220-120-9, 1,2-BIT, 1,2-BENZISOTHIAZOL-3-ONE, EPA Pesticide Chemical Code 098901, ZINC02035984, NCGC00164206-01, LS-33607

Molecular Formula: C7H5NOSMolecular Weight: 151.185700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DMSMPAJRVJJAGA-UHFFFAOYSA-N

• Boc-1,2,3,4-Tetrahydro-3-Isoquinoline Carboxylic Acid
• BOC-ON
IUPAC Name: tert-butyl [[cyano(phenyl)methylidene]amino] carbonate | CAS Registry Number: 58632-95-4
Synonyms: Boc-on, CCRIS 2601, EINECS 261-370-9, tert-Butyl alpha-cyanobenzylaminyl carbonate, CID5868400, LS-188663, ST5308346, 2-(tert-Butoxycarbonyloximino)-2-phenylacetonitrile, 2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile, 2-(t-Butoxycarbonyloxyimino)-2-phenylacetonitrile, Benzeneacetonitrile, alpha-((((1,1-dimethylethoxy)carbonyl)oxy)imino)-, 103919-55-7, 115721-57-8, 154920-47-5

Molecular Formula: C13H14N2O3Molecular Weight: 246.261860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: QQWYQAQQADNEIC-PTNGSMBKSA-N

• Bromomethyl-cyclopropane
IUPAC Name: bromomethylcyclopropane | CAS Registry Number: 7051-34-5
Synonyms: Bromomethylcyclopropane, (Bromomethyl)cyclopropane, Cyclopropylmethyl bromide, bromomethyl-cyclopropane, Cyclopropane, (bromomethyl)-, 242403_ALDRICH, BB_SC-4711, CID81503, EINECS 230-331-8, C2498G5

Molecular Formula: C4H7BrMolecular Weight: 135.002380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: AEILLAXRDHDKDY-UHFFFAOYSA-N

• Butene-1,4-Diol
IUPAC Name: (E)-but-2-ene-1,4-diol | CAS Registry Number: 110-64-5
Synonyms: Butenediol, Penitricin C, 2-Butene-1,4-diol, Agrisynth B2D, 1,4-Butenediol, Caswell No. 120, 2-Buten-1,4-diol, 1,4-DIHYDROXY-2-BUTENE, 2-Butene, 1,4-dihydroxy-, trans-2-Butene-1,4-diol, HSDB 5540, NSC 1260, (2E)-but-2-ene-1,4-diol, EINECS 203-787-0, 2-Butene-1,4-diol, (E)-, 2-butene-1,4-diol, (2E)-, EPA Pesticide Chemical Code 220100, 2-BUTENE-1,4-DIOL (TRANS), AI3-07551, LS-2083

Molecular Formula: C4H8O2Molecular Weight: 88.105120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ORTVZLZNOYNASJ-OWOJBTEDSA-N

• Cbz-Haba
IUPAC Name: 2-hydroxy-4-(phenylmethoxycarbonylamino)butanoic acid | CAS Registry Number: 40371-50-4
Synonyms: EINECS 254-892-3, NRB 01485, (S)-2-Hydroxy-4-(((phenylmethoxy)carbonyl)amino)butyric acid

Molecular Formula: C12H15NO5Molecular Weight: 253.251200 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: ULKOBRDRCYROKY-UHFFFAOYSA-N

• Chlorohydrin
IUPAC Name: 3-chloropropan-1-ol | CAS Registry Number: 627-30-5
Synonyms: 3-Chloropropanol, Trimethylene chlorohydrin, Chloropropanol, 1-Propanol, 3-chloro-, 3-Chloropropan-1-ol, 3-CHLORO-1-PROPANOL, 3-Chloro-l-propanol, Propanol, chloro-, 3-Choro-1-propanol, 1-Chloro-3-hydroxypropane, 3-Chlorpropan-1-ol [German], CCRIS 4767, C46403_ALDRICH, 26090_FLUKA, EINECS 210-992-9, NSC 60190, UN2849, NSC60190, BRN 0773655, ZINC01690062

Molecular Formula: C3H7ClOMolecular Weight: 94.540080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LAMUXTNQCICZQX-UHFFFAOYSA-N

• Chloropyrimidines
IUPAC Name: 2-chloropyrimidine | CAS Registry Number: 1722-12-9
Synonyms: 2-Chloropyrimidine, PYRIMIDINE, 2-CHLORO-, 2-Chloro-4-deoxyuracil, 193291_ALDRICH, AIDS023071, BB_SC-2990, AIDS-023071, NSC43544, EINECS 217-020-2, NSC 43544, ZINC01676249, TL806422, InChI=1/C4H3ClN2/c5-4-6-2-1-3-7-4/h1-3

Molecular Formula: C4H3ClN2Molecular Weight: 114.533020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UNCQVRBWJWWJBF-UHFFFAOYSA-N

• Cyclopropanedicarboxylic Acid
IUPAC Name: cyclopropane-1,1-dicarboxylic acid | CAS Registry Number: 598-10-7
Synonyms: 1,1-Cyclopropanedicarboxylic acid, Cyclopropane-1,1-dicarboxylic acid, 1,1-Cyclopropanedicarboxylate, 343412_ALDRICH, 29915_FLUKA, NSC626865, AIDS036716, BB_SC-3149, AIDS-036716, EINECS 209-917-2, NCI60_008490, TL800742133

Molecular Formula: C5H6O4Molecular Weight: 130.098740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: FDKLLWKMYAMLIF-UHFFFAOYSA-N

• Cysteamine Hydrochloride
IUPAC Name: 2-aminoethanethiol hydrochloride | CAS Registry Number: 156-57-0
Synonyms: Cysteamine hydrochloride, Bekaptan, Cysteamine HCl, Cysteaminium chloride, Merkamin hydrochloride, Mercamine hydrochloride, Cysteamine chlorohydrate, Mercaptamine hydrochloride, USAF EE-3, C2H7NS.HCl, Spectrum2_001667, Spectrum3_000992, Spectrum4_001120, Spectrum5_001422, 2-Thioethylamine hydrochloride, Cysteaminhydrochlorid [German], Mercaptoethylamine hydrochloride, CCRIS 3926, 2-Aminoethanethiol hydrochloride, 2-Mercaptoethylammonium chloride

Molecular Formula: C2H8ClNSMolecular Weight: 113.609620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: OGMADIBCHLQMIP-UHFFFAOYSA-N

• D-2-Methylbutyric Acid
IUPAC Name: (2S)-2-methylbutanoic acid | CAS Registry Number: 1730-91-2
Synonyms: 2-Methylbutanoic acid, (S)-2-methylbutyric acid, Butanoic acid, 2-methyl-, (S)-2-methylbutanoic acid, (2S)-2-methylbutanoic acid, 245526_ALDRICH, (S)-()-2-Methylbutyric acid, CHEBI:38655, InChI=1/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7, SMB, 116-53-0

Molecular Formula: C5H10O2Molecular Weight: 102.131700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WLAMNBDJUVNPJU-BYPYZUCNSA-N

• D-Phenylalaninol
IUPAC Name: 2-amino-3-phenylpropan-1-ol | CAS Registry Number: 5267-64-1
Synonyms: L-Phenylalaninol, S-Phenylalaninol, Phenylalaninol, (S)-2-Benzylethanolamine, (S)-beta-Aminobenzenepropanol, Benzenepropanol, beta-amino-, L-2-Amino-3-phenyl-1-propanol, L-2-Amino-3-phenylpropan-1-ol, 2-Amino-3-phenyl-1-propanol, (R)-2-Amino-3-phenylpropanol, EINECS 221-674-4, 1-Propanol, 2-amino-3-phenyl-, L-, NSC20899, EINECS 226-086-1, Benzenepropanol, beta-amino-, (S)-, NSC 20899, NSC133421, Benzenepropanol, .beta.-amino-, (R)-, NCGC00095352-01, (S)-(-)-2-Amino-3-phenyl-1-propanol

Molecular Formula: C9H13NOMolecular Weight: 151.205620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: STVVMTBJNDTZBF-UHFFFAOYSA-N

• D-Valinol
IUPAC Name: (2R)-2-amino-3-methylbutan-1-ol | CAS Registry Number: 4276-09-9
Synonyms: 284483_ALDRICH, ARK006, (R)-(−)-2-Amino-3-methyl-1-butanol

Molecular Formula: C5H13NOMolecular Weight: 103.162820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NWYYWIJOWOLJNR-YFKPBYRVSA-N

• Di-p-Toluoyl-d-Tartaric Acid
IUPAC Name: (2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid | CAS Registry Number: 32634-68-7
Synonyms: Di-p-toluoyl-D-tartaric acid, MLS001165767, 302813_ALDRICH, 43822_FLUKA, L-DI-P-TOLULTARTARIC ACID, NSC97592, KS-1018, ()-Di-O,O'-p-toluyl-D-tartaric acid, ()-O,O'-Di-p-toluoyl-D-tartaric acid, SMR000550472, (2S,3S)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid

Molecular Formula: C20H18O8Molecular Weight: 386.352120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: CMIBUZBMZCBCAT-HOTGVXAUSA-N

• Diacetyl, Natural
IUPAC Name: butane-2,3-dione | CAS Registry Number: 431-03-8
Synonyms: biacetyl, 2,3-butanedione, diacetyl, dimethylglyoxal, Butanedione, Dimethyl glyoxal, butadione, dimethyl diketone, 2,3-diketobutane, 2,3-Butadione, 2,3-dioxobutane, Glyoxal, dimethyl-, Diketobutane, Diacetyl (natural), Dimethyldiketone, Acetoacetaldehyde, Butane-2,3-dione, 2,3-butandione, 2,3 Butanedione, Butan-2,3-dione

Molecular Formula: C4H6O2Molecular Weight: 86.089240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QSJXEFYPDANLFS-UHFFFAOYSA-N

• Dibenzyl Ketone
IUPAC Name: 1,3-di(phenyl)propan-2-one | CAS Registry Number: 102-04-5
Synonyms: Benzyl ketone, 1,3-Diphenylacetone, DIBENZYL KETONE, 1,3-Diphenylpropanone, 1,3-Diphenyl-2-propanone, 2-Propanone, 1,3-diphenyl-, alpha,alpha'-Diphenylacetone, unsym-DIPHENYLACETONE, FEMA No. 2397, .alpha.,.alpha.'-Diphenylacetone, D204609_ALDRICH, W239704_ALDRICH, 33790_FLUKA, EINECS 203-000-0, NSC4577, NSC 220312, NSC220312, NSC407392, ZINC01679978, AI3-05001

Molecular Formula: C15H14OMolecular Weight: 210.271060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YFKBXYGUSOXJGS-UHFFFAOYSA-N

• Didanosine
IUPAC Name: 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one | CAS Registry Number: 69655-05-6
Synonyms: didanosine, Videx, ddIno, DIDEOXYINOSINE, Videx EC, Hypoxanthine ddN, 2',3'-Dideoxyinosine, Intron A & Videx, Videx (TN), PC-SOD+ddI, LOA & ddI, ddI & IFN-.alpha., ddI + d4T combination, ddI & GM-CSF, DDI and rIFN.alpha.2, Didanosinum [INN-Latin], Inosine, 2',3'-dideoxy-, ddI & sCD4(rsCD4), Didanosina [INN-Spanish], 2'3'-DIDEOXYINOSINE

Molecular Formula: C10H12N4O3Molecular Weight: 236.227280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: BXZVVICBKDXVGW-NKWVEPMBSA-N

• Diethyl-D-(-)-Tartrate
IUPAC Name: diethyl (2R,3S)-2,3-dihydroxybutanedioate | CAS Registry Number: 13811-71-7
Synonyms: DIETHYL-D-TARTRATE, Diethyl 2,3-dihydroxysuccinate, ZINC01648297, Butanedioic acid, 2,3-dihydroxy-, diethyl ester, 87-91-2, InChI=1/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H

Molecular Formula: C8H14O6Molecular Weight: 206.193160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: YSAVZVORKRDODB-OLQVQODUSA-N

• Dimercapto Thiadiazole
IUPAC Name: 1,3,4-thiadiazolidine-2,5-dithione | CAS Registry Number: 1072-71-5
Synonyms: Bismuthiol I, Dimercaptothiadiazole, Bismuththiol i, Usaf fa-4, 2,5-Dimercaptothiadiazole, BISMUTH THIOL I, Usafa-8354, USAF A-8354, 1,3,4-Thiadiazolidine-2,5-dithione, 2,5-Dimercapto-thiadiazole, 2,5-Dimercapto-1,3,4-thiadiazole, PY 61H, 1,3,4-THIADIAZOLE-2,5-DITHIOL, D129003_ALDRICH, WLN: T5NNDSJ CSH ESH, 2,5-Dimercapto-1,3,4-thiodiazole, NSC4645, WLN: T5NN DSJ CSH ESH, NSC 4645, 15100_FLUKA

Molecular Formula: C2H2N2S3Molecular Weight: 150.245680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: BIGYLAKFCGVRAN-UHFFFAOYSA-N

• Dimethyl Hexynediol
IUPAC Name: 2,5-dimethylhex-3-yne-2,5-diol | CAS Registry Number: 142-30-3
Synonyms: Dimethylhexynediol, Acetylenepinacol, Kemitracin-50, Olfine Y, Tetramethylbutynediol, Tetramethyl-2-butynediol, 3-Hexyne-2,5-diol, 2,5-dimethyl-, 2,5-Dimethylhexyne-2,5-diol, HSDB 5639, D 43, 2,5-DIMETHYL-3-HEXYNE-2,5-DIOL, 222623_ALDRICH, D 43 (VAN), EINECS 205-533-4, ZERO/001274, NSC8340, AIDS017555, NSC 117261, 2,5-dimethylhex-3-yne-2,5-diol, AIDS-017555

Molecular Formula: C8H14O2Molecular Weight: 142.195560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IHJUECRFYCQBMW-UHFFFAOYSA-N

• Dimethyl Malate
IUPAC Name: dimethyl (2S)-2-hydroxybutanedioate | CAS Registry Number: 617-55-0
Synonyms: Dimethyl (S)-(-)-malate, Dimethyl L-malate, L-(-)-Malic Acid Dimethyl Ester, Dimethyl (S)-2-hydroxysuccinate, PubChem6778, Dimethyl L-(-)-Malate, AC1Q41UI, 374318_ALDRICH, 02315_FLUKA, MolPort-001-790-894, MolPort-001-791-664, L-(-)-Apple Acid Dimethyl Ester, ANW-50550, ZINC02031458, AKOS015850984, AG-G-25342, RP22482, AK-50385, BR-50385, 1,4-dimethyl (2S)-2-hydroxybutanedioate

Molecular Formula: C6H10O5Molecular Weight: 162.140600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: YSEKNCXYRGKTBJ-BYPYZUCNSA-N

• Dimethylol Dimethyl Hydantoin
IUPAC Name: 1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione | CAS Registry Number: 6440-58-0
Synonyms: Glydant, Dmdmh, DMDM Hydantoin, Dantoin-DMDMH, Glycoserve-DMDMH, Dantoin dmdmh 55, Dmdmh 55, Caswell No. 273AB, Dimethylol-5,5-dimethylhydantoin, EINECS 229-222-8, 1,3-Dimethylol-5,5-dimethylhydantoin, EPA Pesticide Chemical Code 115501, BRN 0882348, 1,3-Bis(hydroxymethyl)-5,5-dimethylhydantoin, 1,3-Di(hydroxymethyl)-5,5-dimethylhydantoin, LS-76005, Hydantoin, 1,3-bis(hydroxymethyl)-5,5-dimethyl-, 1,3-DIMETHYLOL-5,5-DIMETHYL-HYDANTOIN, 1,3-Bis(hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione, 1,3-Bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione

Molecular Formula: C7H12N2O4Molecular Weight: 188.181180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: WSDISUOETYTPRL-UHFFFAOYSA-N

• Dinitro Toluene
IUPAC Name: 1-methyl-2,4-dinitrobenzene | CAS Registry Number: 121-14-2
Synonyms: 2,4-DINITROTOLUENE, 2,4-Dinitrotoluol, Dinitrotoluol, 1-Methyl-2,4-dinitrobenzene, DINITROTOLUENE, Toluene, 2,4-dinitro-, 2,4-Dinitromethylbenzene, 2,4-DNT, nchembio882-comp9, Benzene, 1-methyl-2,4-dinitro-, Benzene, methyldinitro-, Dinitrotoluene, 2,4-, RCRA waste no. U105, RCRA waste number U105, 2,4-Dinitro-1-methylbenzene, CCRIS 268, 4-Methyl-1,3-dinitrobenzene, WLN: WNR B1 ENW, NCI-C01865, CHEBI:920

Molecular Formula: C7H6N2O4Molecular Weight: 182.133540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: RMBFBMJGBANMMK-UHFFFAOYSA-N

• Diphenoxy Benzene
IUPAC Name: 1,4-bis(phenoxy)benzene | CAS Registry Number: 3061-36-7
Synonyms: p-Diphenoxybenzene, Benzene, p-diphenoxy-, Benzene, 1,4-diphenoxy-, 1,4-Diphenoxybenzene, p-Phenoxyphenoxybenzene, 4-Phenoxydiphenyl oxide, Hydroquinone diphenyl ether, Oprea1_734594, CHEBI:39271, SBB007747, ZINC00157317, FR-0248, 1,1'-[1,4-phenylenebis(oxy)]dibenzene

Molecular Formula: C18H14O2Molecular Weight: 262.302560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UVGPELGZPWDPFP-UHFFFAOYSA-N

• Dipicolinic Acid
IUPAC Name: pyridine-2,6-dicarboxylic acid | CAS Registry Number: 499-83-2
Synonyms: Dipicolinic acid, Dipicolinate, 2,6-Pyridinedicarboxylic acid, 2,6-Dipicolinic acid, zinc dipicolinate, 2,6-Dicarboxypyridine, DPAC, PYRIDINE-2,6-DICARBOXYLIC ACID, pyridine carboxylate, 6d, 2,6-pyridinedicarboxylate, Oprea1_533632, C7H5NO4, P63808_ALDRICH, MLS000080748, NSC 176, ARONIS021542, IFLab1_001781, NSC176, 02321_FLUKA, CHEBI:46837

Molecular Formula: C7H5NO4Molecular Weight: 167.118900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: WJJMNDUMQPNECX-UHFFFAOYSA-N

• Disperse Red 9
IUPAC Name: 1-(methylamino)anthracene-9,10-dione | CAS Registry Number: 82-38-2
Synonyms: Methane quinone, Disperse red 9, Celliton Pink R, Supracet Pink R, Macrolex Red G, Waxoline Red MP, Duranol Red GN, Celanthrene Red Y, Waxoline Red MAA, Macrolex Red GS, Kayaset Red G, Oil Red ZMQ, Oracet Red G, Smoke Red M, Amaplast Red AAP, Calco Oil Red ZMQ, 1-(Methylamino)anthraquinone, Oil Red ZMG, Solvent Red 111, Macro-lex Red G

Molecular Formula: C15H11NO2Molecular Weight: 237.253340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SVTDYSXXLJYUTM-UHFFFAOYSA-N

• Durene
IUPAC Name: 1,2,4,5-tetramethylbenzene | CAS Registry Number: 95-93-2
Synonyms: Durol, 1,2,4,5-TETRAMETHYLBENZENE, Benzene, 1,2,4,5-tetramethyl-, 2,5-dimethyl-p-xylene, NCIMech_000514, p-Xylene, 2,5-dimethyl-, T19607_ALDRICH, NSC 6770, 44624_FLUKA, CHEBI:38978, EINECS 202-465-7, CID7269, NSC6770, WLN: 1R B1 D1 E1, p-Xylene, 2,5-dimethyl- (7CI), AI3-25182, LS-32180, ST5188811, C14534, InChI=1/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H

Molecular Formula: C10H14Molecular Weight: 134.218160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SQNZJJAZBFDUTD-UHFFFAOYSA-N

• Ethinyl Estradiol
IUPAC Name: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol | CAS Registry Number: 57-63-6
Synonyms: ethinyl estradiol, Ethynylestradiol, Ethinyloestradiol, Estinyl, Etinoestryl, Etistradiol, Ethinoral, Eticyclin, Eticyclol, Etinestrol, Etinestryl, Follicoral, Ginestrene, Novestrol, Orestralyn, Spanestrin, Amenoron, Dyloform, Estorals, Feminone

Molecular Formula: C20H24O2Molecular Weight: 296.403360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: BFPYWIDHMRZLRN-SLHNCBLASA-N


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