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• 2,4-Dichloropyrimidine
IUPAC Name: 2,4-dichloropyrimidine | CAS Registry Number: 3934-20-1
Synonyms: Pyrimidine, 2,4-dichloro-, nchembio826-comp5, 2,6-Dichloropyrimidine, 143847_ALDRICH, AIDS167215, AIDS-167215, ALBB-006256, NSC20212, NSC37531, NSC49119, EINECS 223-508-6, NSC 20212, NSC 37531, NSC 49119, ZINC01571020, D2489G5, AI3-26561, TL8002842, T5421466, InChI=1/C4H2Cl2N2/c5-3-1-2-7-4(6)8-3/h1-2

Molecular Formula: C4H2Cl2N2Molecular Weight: 148.978080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BTTNYQZNBZNDOR-UHFFFAOYSA-N

• 1-Bromo-2,4-dinitrobenzene
IUPAC Name: 1-bromo-2,4-dinitrobenzene | CAS Registry Number: 584-48-5
Synonyms: 2,4-Dinitrobromobenzene, o,p-Dinitrophenyl bromide, Ambap1993, 2,4-Dinitrophenyl bromide, 4-Bromo-1,3-dinitrobenzene, CCRIS 1801, BENZENE, 1-BROMO-2,4-DINITRO-, 262226_ALDRICH, NSC 3808, EINECS 209-539-8, NSC3808, ZINC01672863, AI3-01803, LS-29197, 7238-15-5

Molecular Formula: C6H3BrN2O4Molecular Weight: 247.003020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: PBOPJYORIDJAFE-UHFFFAOYSA-N

• 2,3,3-Trimethyl-3H-indole
IUPAC Name: 2,3,3-trimethylindole | CAS Registry Number: 1640-39-7
Synonyms: 2,3,3-Trimethylindolenine, 2,3,3-TRIMETHYL-3H-INDOLE, 3H-Indole, 2,3,3-trimethyl-, CCRIS 6607, T76805_ALDRICH, EINECS 216-685-6, NSC 65633, BB_SC-4660, NSC65633, ZINC03860805, AI3-51456, LS-188246, TL80074169, T-6650

Molecular Formula: C11H13NMolecular Weight: 159.227620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FLHJIAFUWHPJRT-UHFFFAOYSA-N

• 1,2,3-Tribromopropane
IUPAC Name: 1,2,3-tribromopropane | CAS Registry Number: 96-11-7
Synonyms: s-Tribromopropane, sym-Tribromopropane, Glycerol tribromohydrin, Glyceryl tribromohydrin, 1,2,3-TRIBROMOPROPANE, Propane, 1,2,3-tribromo-, CCRIS 6706, NCIOpen2_004459, 148474_ALDRICH, CHEBI:18859, EINECS 202-478-8, NSC 78932, NSC78932, BRN 1732082, c0622, AI3-18135, LS-121073, ST5409751, 4-01-00-00221 (Beilstein Handbook Reference), InChI=1/C3H5Br3/c4-1-3(6)2-5/h3H,1-2H

Molecular Formula: C3H5Br3Molecular Weight: 280.783800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FHCLGDLYRUPKAM-UHFFFAOYSA-N

• 2-Methoxypyridine
IUPAC Name: 2-methoxypyridine | CAS Registry Number: 1628-89-3
Synonyms: 2-METHOXYPYRIDINE, Pyridine, 2-methoxy-, Ambap3059, M25406_ALDRICH, EINECS 216-623-8, ZINC00391193, AI3-62040, InChI=1/C6H7NO/c1-8-6-4-2-3-5-7-6/h2-5H,1H, 93337-21-4

Molecular Formula: C6H7NOMolecular Weight: 109.125880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IWTFOFMTUOBLHG-UHFFFAOYSA-N

• 1,2,3,4-Tetrahydroquinoline
IUPAC Name: 1,2,3,4-tetrahydroquinoline | CAS Registry Number: 635-46-1
Synonyms: Kusol, Quinoline, 1,2,3,4-tetrahydro-, T15504_ALDRICH, W516007_ALDRICH, 87350_FLUKA, CID69460, NSC15311, EINECS 211-237-6, NSC 15311, AI3-10034, ST5213755, TL8004434, InChI=1/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,10H,3,5,7H, 165057-15-8, 86433-95-6

Molecular Formula: C9H11NMolecular Weight: 133.190340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LBUJPTNKIBCYBY-UHFFFAOYSA-N

• 1,3-CyclohexaneDione
IUPAC Name: cyclohexane-1,3-dione | CAS Registry Number: 504-02-9
Synonyms: Dihydroresorcinol, 1,3-Cyclohexanedione, Hydroresorcinol, 1,3-Cyclohexanone, Resorcinol, dihydro-, 1,3-Cyclohexandione, 1,3 Cyclohexanedione, CYCLOHEXANE-1,3-DIONE, 1,3-Benzenediol, dihydro-, WLN: L6V CVTJ, Benzil-related compound, 49, CYCLOHEXANE-13-DIONE, C101605_ALDRICH, 29059_FLUKA, CHEBI:17766, CID10434, NSC57477, EINECS 207-980-0, NSC 57477, SB 01019

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

InChIKey: HJSLFCCWAKVHIW-UHFFFAOYSA-N

• 1-(3-Chlorophenyl) Piperazine HCl
IUPAC Name: 1-(3-chlorophenyl)piperazine hydrochloride | CAS Registry Number: 65369-76-8
Synonyms: m-CPP, C10H13ClN2.HCl, MLS001332529, MLS001332530, MLS002153364, 1-(3-Chlorophenyl)piperazine hydrochloride, 125180_ALDRICH, EINECS 235-976-9, 1-(3-Chlorophenyl)piperazinium chloride, EINECS 257-333-1, EINECS 265-718-0, NSC134746, SBB003261, SMR000875230, 1-(3-Chlorophenyl)piperazine monohydrochloride, Piperazine, 1-(3-chlorophenyl)-, monohydrochloride, LS-111322, TL8004644, 1-(3-Chlorophenyl)piperazine dihydrochloride, 1-(M-CHLOROPHENYL)PIPERAZINE HYDROCHLORIDE

Molecular Formula: C10H14Cl2N2Molecular Weight: 233.137560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: MHXPYWFZULXYHT-UHFFFAOYSA-N

• 1-BromoAdamantane
IUPAC Name: 1-bromoadamantane | CAS Registry Number: 768-90-1
Synonyms: 1-Bromoadamantane, Adamantyl bromide, 1-Adamantyl bromide, Adamantane, 1-bromo-, Maybridge1_002156, 1-BROMO ADAMANTANE, ADAMANTANE,1-BROMO, 109223_ALDRICH, 16130_FLUKA, EINECS 212-200-7, CID79106, 1-Bromotricyclo(3.3.1.13,7)decane, EINECS 230-777-3, NSC527914, 2-Bromotricyclo(3.3.1.13,7)decane, STT-00320130, LS-185689, ST5182329, TL8005279, Tricyclo[3.3.1.1(3,7)-]decane, 1-bromo-

Molecular Formula: C10H15BrMolecular Weight: 215.130100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: VQHPRVYDKRESCL-UHFFFAOYSA-N

• 1-Dimethylaminopropan-2-Ol
IUPAC Name: 1-(dimethylamino)propan-2-ol | CAS Registry Number: 108-16-7
Synonyms: Dimepranol, Dimethylisopropanolamine, Dimepranol [INN], N,N-Dimethylisopropanolamine, Dimethyl(2-hydroxypropyl)amine, 1-(Dimethylamino)-2-propanol, Dimepranolum [INN-Latin], 1-(Dimethylamino)propan-2-ol, N,N-Dimethylaminoisopropanol, 1,1-Dimethylaminopropanol-2, N,N-(Dimethylamino)-2-propanol, 1-Dimethylamino-2-propanol, N,N-Dimethyl-2-hydroxypropylamine, 2-PROPANOL, 1-(DIMETHYLAMINO)-, 2-Propanol, 1,1-(dimethylamino)-, 471526_ALDRICH, 1,1-(Dimethylamino)propanol-2, NSC 3163, 39300_FLUKA, EINECS 203-556-4

Molecular Formula: C5H13NOMolecular Weight: 103.162820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NCXUNZWLEYGQAH-UHFFFAOYSA-N

• 1,2-Dihydroxy methyl Benzene
IUPAC Name: [2-(hydroxymethyl)phenyl]methanol | CAS Registry Number: 612-14-6
Synonyms: 1,2-Benzenedimethanol, Phthalyl alcohol, o-Xylene-alpha,alpha'-diol, 1,2-phenylenedimethanol, 2-Hydroxymethylbenzenemethanol, 1,2-Bis(hydroxymethyl)benzene, 184829_ALDRICH, 12570_FLUKA, CID69153, EINECS 210-293-9, NSC403013, ZINC03861341, NSC 403013, AI3-19549, InChI=1/C8H10O2/c9-5-7-3-1-2-4-8(7)6-10/h1-4,9-10H,5-6H, 6680-73-5

Molecular Formula: C8H10O2Molecular Weight: 138.163800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XMUZQOKACOLCSS-UHFFFAOYSA-N

• 2,5-Dihydroxybenzoic acid
IUPAC Name: 2,5-dihydroxybenzoic acid | CAS Registry Number: 490-79-9
Synonyms: gentisic acid, Gentisate, Gensigen, Gensigon, Gentinatre, Hydroquinonecarboxylic acid, Gentalpin, Gentasol, Gentidol, Gentisan, Gentisod, Legential, Nagentis, Casate, Gabail, Nagent, 5-Hydroxysalicylic acid, Gentisinic acid, Casate sodium, Gensalate sodium

Molecular Formula: C7H6O4Molecular Weight: 154.120140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: WXTMDXOMEHJXQO-UHFFFAOYSA-N

• 2-Aminothiazole HCl
IUPAC Name: 4,5-dihydro-1,3-thiazol-2-ylazanium chloride | CAS Registry Number: 3882-98-2
Synonyms: 2-AMINO-4-THIAZOLINE HCL, EINECS 223-416-6, LS-106, AI3-61003, 4,5-Dihydrothiazol-2-amine monohydrochloride, 2-Thiazolamine, 4,5-dihydro-, monohydrochloride

Molecular Formula: C3H7ClN2SMolecular Weight: 138.619080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CODJLHDDIDUKMD-UHFFFAOYSA-N

• 2-Bromo Hexanoic Acid
IUPAC Name: 2-bromohexanoic acid | CAS Registry Number: 616-05-7
Synonyms: 2-Bromocaproic acid, Hexanoic acid, 2-bromo-, 2-BROMOHEXANOIC ACID, alpha-Bromocaproic acid, alpha-Bromohexanoic acid, .alpha.-Bromo-n-caproic acid, .alpha.-Bromocaproic acid, WLN: QVYE4, .alpha.-Bromohexanoic acid, alpha-Bromo-n-caproic acid, NCIOpen2_000344, 242837_ALDRICH, NSC73987, EINECS 210-461-1, NSC 73987, (+/-)-2-BROMOHEXANOIC ACID, AI3-11171, InChI=1/C6H11BrO2/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9, 2681-83-6

Molecular Formula: C6H11BrO2Molecular Weight: 195.054340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HZTPKMIMXLTOSK-UHFFFAOYSA-N

• 2-Chloro-6-Fluoro Benzyl Alcohol
IUPAC Name: (2-chloro-6-fluorophenyl)methanol | CAS Registry Number: 56456-50-9
Synonyms: 2-Chloro-6-fluorobenzyl alcohol, Benzenemethanol, 2-chloro-6-fluoro-, ZINC00154651, 2-Chloro-6-fluorobenzylic alcohol, CID91868, JRD-0881, EINECS 260-192-9, ST5406663

Molecular Formula: C7H6ClFOMolecular Weight: 160.573343 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZZFCUESFXBCRSC-UHFFFAOYSA-N

• 2-Chloromethyl Thiophene
IUPAC Name: 2-(chloromethyl)thiophene | CAS Registry Number: 765-50-4
Synonyms: 2-chloromethylThiophene, 2-(Chloromethyl)thiophene, 2-(Chloromethyl)-thiophene, Thiophene, 2-(chloromethyl)-, EINECS 212-150-6, TL8005237

Molecular Formula: C5H5ClSMolecular Weight: 132.611200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FUOHKPSBGLXIRL-UHFFFAOYSA-N

• 2,3-Dichloro Benzoyl Chloride
IUPAC Name: 2,3-dichlorobenzoyl chloride | CAS Registry Number: 2905-60-4
Synonyms: Ambap2006, Benzoyl chloride, dichloro-, DICHLOROBENZOYL CHLORIDE, EINECS 246-643-2, HSDB 5901, 2,3-DICHLOROBENZOYL CHLORIDE, Benzoyl chloride, 2,3-dichloro-, EINECS 220-811-5, ZINC05227143, LS-42600, TL8002291, 25134-08-1

Molecular Formula: C7H3Cl3OMolecular Weight: 209.457120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YBONBWJSFMTXLE-UHFFFAOYSA-N

• 2,4,6-Trichloro Benzoic Acid
IUPAC Name: 2,4,6-trichlorobenzoic acid | CAS Registry Number: 50-43-1
Synonyms: Trichlorobenzoic acid, 2,4,6-TRICHLOROBENZOIC ACID, Benzoic acid, trichloro-, Benzoic acid, 2,4,6-trichloro-, 344281_ALDRICH, BRN 1874127, SBB003323, AI3-33271, LS-38360, TL8003346, 4-09-00-01010 (Beilstein Handbook Reference), InChI=1/C7H3Cl3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12, 1319-85-3

Molecular Formula: C7H3Cl3O2Molecular Weight: 225.456520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RAFFVQBMVYYTQS-UHFFFAOYSA-N

• 2,4,6-Trichloro Phenyl Hydrazine
IUPAC Name: (2,4,6-trichlorophenyl)hydrazine | CAS Registry Number: 5329-12-4
Synonyms: 2,4,6-Trichlorophenylhydrazine, (2,4,6-Trichlorophenyl)hydrazine, Hydrazine, (2,4,6-trichlorophenyl)-, NSC1869, NSC 1869, EINECS 220-337-9, EINECS 226-217-2, EINECS 276-229-7, SBB003434, ZINC00388223, TL8000014, 2,4,6-trichlorophenylhydrazine monohydrochloride, (2,4,6-Trichlorophenyl)hydrazine monohydrochloride, C071044, (2,4,6-Trichlorophenyl)hydrazinium sulphate (1:1), 2,4,6-trichlorophenylhydrazine sulfate (1:1) salt, InChI=1/C6H5Cl3N2/c7-3-1-4(8)6(11-10)5(9)2-3/h1-2,11H,10H, 2724-66-5, 63133-79-9, 71965-09-8

Molecular Formula: C6H5Cl3N2Molecular Weight: 211.476300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: MULHANRBCQBHII-UHFFFAOYSA-N

• 2,4,6-Trichloro Pyrimidine
IUPAC Name: 2,4,6-trichloropyrimidine | CAS Registry Number: 3764-01-0
Synonyms: 2,4,6-Trichloropyrimidine, Pyrimidine, 2,4,6-trichloro-, Ambap189, CCRIS 7597, T56200_ALDRICH, NSC 6494, 91405_FLUKA, EINECS 223-183-0, NSC6494, ZINC01693558, AI3-26566, LS-167035, InChI=1/C4HCl3N2/c5-2-1-3(6)9-4(7)8-2/h1

Molecular Formula: C4HCl3N2Molecular Weight: 183.423140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DPVIABCMTHHTGB-UHFFFAOYSA-N

• 2,4,6-Trimethyl Benzoic Acid
IUPAC Name: 2,4,6-trimethylbenzoic acid | CAS Registry Number: 480-63-7
Synonyms: Mesitoic acid, beta-Isodurylic acid, .beta.-Isodurylic acid, Mesitylenecarboxylic acid, MESITOIC AICD, Benzoic acid, 2,4,6-trimethyl-, 2,4,6-TRIMETHYLBENZOIC ACID, 2-Mesitylenecarboxylic acid, T74802_ALDRICH, NSC 1119, 92310_FLUKA, EINECS 207-553-9, NSC1119, BRN 1866187, NSC407983, LS-38537, ST5307937, 4-09-00-01854 (Beilstein Handbook Reference), AB-131/40171157, InChI=1/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FFFIRKXTFQCCKJ-UHFFFAOYSA-N

• 2,8-Dimethyl Quinoline
IUPAC Name: 2,8-dimethylquinoline | CAS Registry Number: 1463-17-8
Synonyms: 2,8-DIMETHYLQUINOLINE, Quinoline, 2,8-dimethyl-, NSC62133, CID15101, EINECS 215-974-4, ZINC00967176, AO-801/41077419

Molecular Formula: C11H11NMolecular Weight: 157.211740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BELFSAVWJLQIBB-UHFFFAOYSA-N

• 1,2,5,6,9,10-Hexabromocyclododecane
IUPAC Name: 1,2,5,6,9,10-hexabromocyclododecane | CAS Registry Number: 3194-55-6
Synonyms: Hexabromocyclododecane, HSDB 6110, 144762_ALDRICH, EINECS 221-695-9, 1,2,5,6,9,10-HEXABROMOCYCLODODECANE, 1,2,5,6,9,10-Hexabromocyclodecane, CID18529, Cyclododecane, 1,2,5,6,9,10-hexabromo-, NCGC00164063-01, LS-55963, 23774-70-1

Molecular Formula: C12H18Br6Molecular Weight: 641.695320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: DEIGXXQKDWULML-UHFFFAOYSA-N

• 2-Chloro-9-(3-(dimethylamino)propyl)-thioxanthen-9-ol
IUPAC Name: 2-chloro-9-[3-(dimethylamino)propyl]thioxanthen-9-ol | CAS Registry Number: 4295-65-2
Synonyms: EINECS 224-302-9, CID107255, 2-Chloro-9-(3-(dimethylamino)propyl)thioxanthen-9-ol

Molecular Formula: C18H20ClNOSMolecular Weight: 333.875500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YJINNJOMTOJZBH-UHFFFAOYSA-N

• 2-(2-nitrovinyl)thiophene
IUPAC Name: 2-[(E)-2-nitroethenyl]thiophene | CAS Registry Number: 874-84-0
Synonyms: 2-Thienylnitroethylene, 2-(2-Nitrovinyl)thiophene, 2-(2-Nitroethenyl)thiophene, 1-(2-Thienyl)-2-nitroethene, Thiophene, 2-(2-nitrovinyl)-, EINECS 212-867-4, NSC 22059, Thiophene, 2-(2-nitroethenyl)-, 2-[(E)-2-nitroethenyl]thiophene, NSC22059, SBB000122, ZINC00055258, Thiophene, 2-(2-nitroethenyl)- (9CI), LS-153143, TL80073673, AB-337/25021025

Molecular Formula: C6H5NO2SMolecular Weight: 155.174400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UTPOWFFIBWOQRK-ONEGZZNKSA-N

• 1-(2-Hydroxyethyl)-2-imidazolidinone
IUPAC Name: 1-(2-hydroxyethyl)imidazolidin-2-one | CAS Registry Number: 3699-54-5
Synonyms: Hydroxyethylethyleneurea, 2-Imidazolidinone, 1-(2-hydroxyethyl)-, 1-(2-Hydroxyethyl)imidazolidin-2-one, 378658_ALDRICH, N-(2-Hydroxyethyl)ethyleneurea, NSC 5775, EINECS 223-032-9, NSC5775, SBB008288, ZINC00389851, AI3-24563, FR-1173, LS-195349, TL8006496, 1-(2-Hydroxyethyl)-2-imidazolidinone solution, InChI=1/C5H10N2O2/c8-4-3-7-2-1-6-5(7)9/h8H,1-4H2,(H,6,9

Molecular Formula: C5H10N2O2Molecular Weight: 130.145100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HBAIZGPCSAAFSU-UHFFFAOYSA-N

• 2,4-Dinitrobenzenesulfonyl chloride
IUPAC Name: 2,4-dinitrobenzenesulfonyl chloride | CAS Registry Number: 1656-44-6
Synonyms: 142956_ALDRICH, CID74255, 2,4-Dinitrobenzenesulphonyl chloride, Benzenesulfonyl chloride, 2,4-dinitro-, EINECS 216-749-3, T5291015

Molecular Formula: C6H3ClN2O6SMolecular Weight: 266.615820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: SSFSNKZUKDBPIT-UHFFFAOYSA-N

• 2,6-Diaminoanthraquinone
IUPAC Name: 2,6-diaminoanthracene-9,10-dione | CAS Registry Number: 131-14-6
Synonyms: 2,6-Anthraquinonyldiamine, 2,6-Diaminoanthrachinon, CCRIS 5604, 2,6-Diamino-9,10-anthraquinone, D12007_ALDRICH, 9,10-Anthracenedione, 2,6-diamino-, 2,6-Diaminoanthrachinon [Czech], ANTHRAQUINONE, 2,6-DIAMINO-, NSC39935, EINECS 205-013-7, CID8557, NSC 39935, BRN 2809383, ZINC03874039, WLN: L C666 BV IVJ EZ LZ, AI3-52500, LS-20654, LT03333385, 4-14-00-00486 (Beilstein Handbook Reference), 168681-29-6

Molecular Formula: C14H10N2O2Molecular Weight: 238.241400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: WQOWBWVMZPPPGX-UHFFFAOYSA-N

• 11alpha-Hydroxyprogesterone
IUPAC Name: (8S,9S,10R,11R,13S,14S)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 80-75-1
Synonyms: 11-Hydroxyprogesterone, CPD-272, CID440105, C03747

Molecular Formula: C21H30O3Molecular Weight: 330.461100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BFZHCUBIASXHPK-ODYOLWGQSA-N

• 2,2'-Dinitrobiphenyl
IUPAC Name: 1-nitro-2-(2-nitrophenyl)benzene | CAS Registry Number: 2436-96-6
Synonyms: Biphenyl, 2,2'-dinitro-, 2,2-DINITROBIPHENYL, 1,1'-Biphenyl, 2,2'-dinitro-, Dodecanoic acid, ammonium salt, 126640_ALDRICH, 2,2'-bisnitro-1,1'-biphenyl, 2,2'-Dinitro-1,1'-biphenyl, CID75529, NSC13356, Biphenyl, 2,2'-dinitro- (8CI), EINECS 219-435-4, 2,2'-Dinitrobiphenyl, 2,2'-dinitro-, NSC 13356, STK049596, ZINC03860993, 1,1'-Biphenyl, 2,2'-dinitro- (9CI), LT03330866, AA-516/30040059, S14-1331, InChI=1/C12H8N2O4/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18/h1-8

Molecular Formula: C12H8N2O4Molecular Weight: 244.202920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: QAFJHDNFUMKVIE-UHFFFAOYSA-N

• 2-Acetamido-2-Deoxy-Alpha-D-Glucopyranose
IUPAC Name: N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide | CAS Registry Number: 10036-64-3
Synonyms: 1rdn, 1ax0, UNII-T13TI5GH3D, N-Acetyl-alpha-D-glucosamine, N-acetyl-alpha-D-glucosaminides, CHEBI:27425, MolPort-000-146-208, CID82313, EINECS 233-115-1, ZINC03860151, SB01966, 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE, SR-01000634877-1, NDG, NAG

Molecular Formula: C8H15NO6Molecular Weight: 221.207800 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 6

InChIKey: OVRNDRQMDRJTHS-PVFLNQBWSA-N

• 1-Naphthol-5-sulfonic acid
IUPAC Name: 5-hydroxynaphthalene-1-sulfonic acid | CAS Registry Number: 117-59-9
Synonyms: NSC9834, AIDS212071, AIDS-212071, CID67025, 1-Naphthalenesulfonic acid, 5-hydroxy-, EINECS 204-199-7, 5-Hydroxynaphthalene-1-sulphonic acid, 5-Hydroxy-naphthalene-1-sulfonic acid, BAS 00532239

Molecular Formula: C10H8O4SMolecular Weight: 224.233120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: YLKCHWCYYNKADS-UHFFFAOYSA-N

• 2,3,5-Trichloropyridine
IUPAC Name: 2,3,5-trichloropyridine | CAS Registry Number: 16063-70-0
Synonyms: 2,3,5-TRICHLOROPYRIDINE, Pyridine, 2,3,5-trichloro-, ZERO/001504, 384275_ALDRICH, TPC-I005, CID27666, BRN 0119384, ZINC00084933, T250, LS-132112, EU-0067746, 5-20-05-00420 (Beilstein Handbook Reference), AF-834/25001439, InChI=1/C5H2Cl3N/c6-3-1-4(7)5(8)9-2-3/h1-2

Molecular Formula: C5H2Cl3NMolecular Weight: 182.435080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CNLIIAKAAMFCJG-UHFFFAOYSA-N

• (S)-(-)-N-Benzyl-alpha-methylbenzylamine
IUPAC Name: cyclohexylmethyl-[(1S)-1-phenylethyl]azanium | CAS Registry Number: 17480-69-2
Synonyms: ZINC04167524, ZINC04167527, CID7119426

Molecular Formula: C15H24N+Molecular Weight: 218.357760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: UHABCGJJMSQRRP-ZDUSSCGKSA-O

• 1-(3'-Chlorophenyl)-3-methyl-5-pyrazolone (CAS: 20629-90-7)
• 2,3-Difluorobenzonitrile
IUPAC Name: 2,3-difluorobenzonitrile | CAS Registry Number: 21524-39-0
Synonyms: Ambap3100, Benzonitrile, 2,3-difluoro-, 263524_ALDRICH, ZINC00409196, CID88935, JRD-0433, EINECS 244-418-3, TL8001788

Molecular Formula: C7H3F2NMolecular Weight: 139.102226 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GKPHNZYMLJPYJJ-UHFFFAOYSA-N

• 2-Fluorophenylhydrazine
IUPAC Name: (2-fluorophenyl)hydrazine | CAS Registry Number: 2368-80-1
Synonyms: (2-fluorophenyl)hydrazine, 1-(2-Fluorophenyl)hydrazine, Hydrazine, (2-fluorophenyl)-, ZERO/001817, ALBB-005977, 2-Fluorophenylhydrazine hydrochloride, EINECS 220-885-9, ZINC00153109, 2924-15-4

Molecular Formula: C6H7FN2Molecular Weight: 126.131583 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PENWGQNPFRRVQI-UHFFFAOYSA-N

• 2-Methoxy-3-(1-methylpropyl)pyrazine
IUPAC Name: 2-[(2S)-butan-2-yl]-3-methoxypyrazine | CAS Registry Number: 24168-70-5
Synonyms: 2-Methoxy-3-isobutylpyrazine, 2-Methoxy-3-sec-butylpyrazine, ZINC00407078

Molecular Formula: C9H14N2OMolecular Weight: 166.220260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: QMQDJVIJVPEQHE-ZETCQYMHSA-N

• 2-(2'-Hydroxy-5'-methylphenyl) benzotriazole (UV-P)
IUPAC Name: 2-(benzotriazol-2-yl)-4-methylphenol | CAS Registry Number: 2440-22-4
Synonyms: Drometrizole, Benazol P, Tinuvin P, UV Absorber-1, Porex P, Tin P, Drometrizole [USAN:INN], Drometrizolum [INN-Latin], 2-Benzotriazolyl-4-methylphenol, ChemDiv2_000180, Drometrizole (USAN/INN), NCIOpen2_005624, MLS000713327, 533203_ALDRICH, Drometrizol [INN-Spanish, French], Phenol, 2-(2H-benzotriazol-2-yl)-4-methyl-, EINECS 219-470-5, NSC 91885, p-Cresol, 2-(2H-benzotriazol-2-yl)-, 2-(2H-Benzotriazol-2-yl)-p-cresol

Molecular Formula: C13H11N3OMolecular Weight: 225.245940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MCPKSFINULVDNX-UHFFFAOYSA-N

• (S)-(+)-1-Amino-2-propanol
IUPAC Name: 1-aminopropan-2-ol | CAS Registry Number: 2799-17-9
Synonyms: Threamine, Isopropanolamine, Mipa, Monoisopropanolamine, 1-Aminopropan-2-ol, 2-Propanol, 1-amino-, 2-Hydroxypropanamine, 2-Hydroxypropylamine, aminopropanol, Mono-iso-propanolamine, 1-AMINO-2-PROPANOL, Amino-2-propanol, 1-Methyl-2-aminoethanol, 2-Amino-1-methylethanol, 2-Hydroxy-1-propylamine, 1-Amino-2-hydroxypropane, ()-Isopropanolamine, 1-amino-propan-2-ol, beta-Aminoisopropanol, D-1-amino-2-propanol

Molecular Formula: C3H9NOMolecular Weight: 75.109660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HXKKHQJGJAFBHI-UHFFFAOYSA-N

• 1-Methyl-3-indolecarboxylic acid
IUPAC Name: 1-methylindole-3-carboxylic acid | CAS Registry Number: 32387-21-6
Synonyms: 1-Methylindole-3-carboxylic acid, 1-Methyl-1H-Indole-3-Carboxylic Acid, Bionet2_001079, PubChem7285, AC1LGYTC, ACMC-209hsw, SureCN535878, AC1Q3YR6, 465313_ALDRICH, IND022, Jsp005986, CHEMBL1650259, CTK1C2250, MolPort-001-788-709, BB_SC-5761, HMS1367B01, ACN-S004090, ACT06919, ANW-27342, BBL010561

Molecular Formula: C10H9NO2Molecular Weight: 175.183960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HVRCLXXJIQTXHC-UHFFFAOYSA-N

• 5-Fluoroindole
IUPAC Name: 5-fluoro-1H-indole | CAS Registry Number: 399-52-0
Synonyms: Indole, 5-fluoro-, 1H-Indole, 5-fluoro-, 5-Fluoro-1H-indole, F9108_ALDRICH, NSC88613, EINECS 206-917-4, ZINC00388684, SL-00462, TL8002888, F-4520, F-4525, InChI=1/C8H6FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10

Molecular Formula: C8H6FNMolecular Weight: 135.138343 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ODFFPRGJZRXNHZ-UHFFFAOYSA-N

• (S)-(+)-2-Hydroxy-4-phthalimidobutyric acid
IUPAC Name: (2S)-4-(1,3-dioxoisoindol-2-yl)-2-hydroxybutanoate | CAS Registry Number: 48172-10-7
Synonyms: ZINC00056909, CID6921645

Molecular Formula: C12H10NO5-Molecular Weight: 248.211500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: YWDXODQRCDEZLN-VIFPVBQESA-M

• 2-Aminotoluene-5-Sulfonic Acid
IUPAC Name: 4-amino-3-methylbenzenesulfonic acid | CAS Registry Number: 98-33-9
Synonyms: 3-Methylsulphanilic acid, o-Toluidine-m-sulfonic acid, 4-Amino-m-toluenesulfonic acid, 2-Amino-5-toluenesulfonic acid, CCRIS 3412, m-Toluenesulfonic acid, 4-amino-, 4-Amino-3-methylbenzenesulfonic acid, 2-Aminotoluene-5-sulfonic acid, Benzenesulfonic acid, 4-amino-3-methyl-, NSC 7545, EINECS 202-658-6, NSC7545, 4-Amino-m-toluenesulfonic acid (SO3H=1), AI3-16579, 4-Amino-meta-toluenesulfonic acid (SO3H=1), m-Toluenesulfonic acid, 4-amino- (8CI), 4-Amino-m-toluenesulfonic acid [SO3H=1], LS-188100, TL8006040, 4-AMINO-3-METHYLBENZENESULPHONIC ACID

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

InChIKey: WQTCZINVPXJNEL-UHFFFAOYSA-N

• 2,4,5-Trimethylthiazole
IUPAC Name: 2,4,5-trimethyl-1,3-thiazole | CAS Registry Number: 13623-11-5
Synonyms: Trimethylthiazole, Thiazole, trimethyl-, Thiazole, 2,4,5-trimethyl-, W332518_ALDRICH, FEMA No. 3325, 219185_ALDRICH, EINECS 237-107-9, NSC170614, ZINC00407028, NSC 170614, Thiazole, 2,4,5-trimethyl- (8CI)(9CI), InChI=1/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H

Molecular Formula: C6H9NSMolecular Weight: 127.207360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BAMPVSWRQZNDQC-UHFFFAOYSA-N

• 6-Chloro-o-Toluidine (6COT)
IUPAC Name: 2-chloro-6-methylaniline | CAS Registry Number: 87-63-8
Synonyms: 6-Chloro-o-toluidine, o-Toluidine, 6-chloro-, 2-Chloro-6-methylaniline, 2-Amino-3-chlorotoluene, 6-Chloro-2-toluidine, 3-Chloro-2-aminotoluene, 2-Methyl-6-chloroaniline, Benzenamine, 2-chloro-6-methyl-, 6-CHLORO-2-METHYLANILINE, WLN: ZR BG F1, C51008_ALDRICH, 6-Chloro-o-toluidine (NH2=1), NSC60121, EINECS 201-759-2, CID6897, 6-Chloro-o-toluidine [NH2=1], Benzenamine, 6-chloro-2-methyl-, NSC 60121, BRN 0774624, SBB004153

Molecular Formula: C7H8ClNMolecular Weight: 141.598120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WFNLHDJJZSJARK-UHFFFAOYSA-N

• 2-Hydroxy Pyrimidine HCL
IUPAC Name: 1H-pyrimidin-2-one hydrochloride | CAS Registry Number: 38353-09-2
Synonyms: Ambap3227, 2-Hydroxypyrimidine hydrochloride, 2-Pyrimidinol hydrochloride, 2-Pyrimidinone hydrochloride, H57408_ALDRICH, Pyrimidine-2-ol hydrochloride, 56430_FLUKA, Pyrimidin-2-one monohydrochloride, 2(1H)-Pyrimidinone hydrochloride, AIDS023052, AIDS-023052, EINECS 253-897-8, 2-Pyrimidinol, hydrochloride (8CI), NSC 56052, SBB004216, 2(1H)-Pyrimidinone, monohydrochloride, AI3-60177, TL8002805, 1450-92-6, 53412-83-2

Molecular Formula: C4H5ClN2OMolecular Weight: 132.548300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: IAJINJSFYTZPEJ-UHFFFAOYSA-N

• (R)-N-boc-3-Amino-Pyrrolidine
IUPAC Name: tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate | CAS Registry Number: 147081-49-0
Synonyms: (R)-(+)-1-Boc-3-aminopyrrolidine, (r)-1-boc-3-aminopyrrolidine, (R)-3-Amino-1-N-BOC-pyrrolidine, r-bocap, (R)-(+)-N-Boc-3-aminopyrrolidine, (r)-tert-butyl 3-aminopyrrolidine-1-carboxylate, (R)-3-Amino-N-Boc-pyrrolidine, (R)-3-Amino-1-Boc-pyrrolidine, tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate, (3r)-3-amino-1-(tert-butoxycarbonyl)pyrrolidine, (R)-1-N-Boc-3-Aminopyrrolidine, SBB028394, (r)-(+)-1-tboc-3-aminopyrrolidine, (3R)-(+)-1-(tert-Butoxycarbonyl)-3-aminopyrrolidine, AG-D-91849, (3R)-(+)-1-Boc-3-aminopyrrolidine, (r)-n-tert-butoxycarbonyl-3-aminopyrrolidine, (r)-3-amino-1-tert-butoxycarbonylpyrrolidine, (r)-3-amino-pyrrolidine-1-carboxylic acid tert-butyl ester, 1-Pyrrolidinecarboxylic acid, 3-amino-, 1,1-dimethylethyl ester, (3R)-

Molecular Formula: C9H18N2O2Molecular Weight: 186.251420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CMIBWIAICVBURI-SSDOTTSWSA-N

• 1-(2-(2-Hydroxyethoxy)ethyl) Piperazine
IUPAC Name: 2-(2-piperazin-1-ylethoxy)ethanol | CAS Registry Number: 13349-82-1
Synonyms: 2-[2-(1-Piperazinyl)ethoxy]ethanol, 331260_ALDRICH, 1-(2-(2-Hydroxyethoxy)ethyl)piperazine, 2-(2-piperazin-1-ylethoxy)ethanol, ALBB-006029, 1-[2-(2-Hydroxyethoxy)ethyl]piperazine, CID139436, ST5405453, TL8000795

Molecular Formula: C8H18N2O2Molecular Weight: 174.240720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: FLNQAPQQAZVRDA-UHFFFAOYSA-N

• 2,6-Diaminopurine
IUPAC Name: 7H-purine-2,6-diamine | CAS Registry Number: 1904-98-9
Synonyms: 2-Aminoadenine, Diaminopurine, 1H-Purine-2,6-diamine, 2-6-Diaminopurine, Purine, 2,6-diamino-, Purine-2,6-diyldiamine, 9H-Purine-2,6-diamine, 7H-purine-2,6-diamine, CCRIS 923, Purine, 2, 6-diamino-, Oprea1_670021, MLS001066366, NSC 743, 247847_ALDRICH, C5H6N6, NSC743, EINECS 217-605-2, AIDS023709, SQ 21065, X 79

Molecular Formula: C5H6N6Molecular Weight: 150.141340 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: MSSXOMSJDRHRMC-UHFFFAOYSA-N


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