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• 1,2-Difluorobenzene
IUPAC Name: 1,2-difluorobenzene | CAS Registry Number: 367-11-3
Synonyms: o-Difluorobenzene, Benzene, o-difluoro-, 1,2-DIFLUOROBENZENE, Benzene, 1,2-difluoro-, 1,2-Difluorbenzol, ortho-Difluorobenzene, 126152_ALDRICH, 36890_FLUKA, CHEBI:38583, EINECS 206-680-7, NSC 10275, JRD-0336, NSC10275, BRN 1905113, ZINC00164418, AI3-52226, LS-29835, SB 00649, TL8002704, 4-05-00-00637 (Beilstein Handbook Reference)

Molecular Formula: C6H4F2Molecular Weight: 114.092766 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GOYDNIKZWGIXJT-UHFFFAOYSA-N

• 2,4-Difluorophenol
IUPAC Name: 2,4-difluorophenol | CAS Registry Number: 367-27-1
Synonyms: Phenol, 2,4-difluoro-, Ambap7451, 233269_ALDRICH, ZINC00164410, EINECS 206-688-0, CID123051, D132, TL806317, AI3-62833

Molecular Formula: C6H4F2OMolecular Weight: 130.092166 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NVWVWEWVLBKPSM-UHFFFAOYSA-N

• 1,2,4-Trifluorobenzene
IUPAC Name: 1,2,4-trifluorobenzene | CAS Registry Number: 367-23-7
Synonyms: Ambap7190, Benzene, 1,2,4-trifluoro-, 1,3,4-Trifluorobenzene, 1,2,4- Trifluorobenzene, 196843_ALDRICH, NSC10263, 1,3,4-Trifluorobenzene, misnomer, CID67773, JRD-0617, EINECS 206-684-9, TL8002707

Molecular Formula: C6H3F3Molecular Weight: 132.083230 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PEBWOGPSYUIOBP-UHFFFAOYSA-N

• 2,2-(1,2-Ethenediyldi-4, 1-Phenylene) Bisbenzoxazole
IUPAC Name: 2-[4-[(E)-2-[4-(1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole | CAS Registry Number: 1533-45-5
Synonyms: 368598_ALDRICH, ZINC01556898, 4,4'-Bis(2-benzoxazolyl)stilbene, EINECS 216-245-3, CID5702717, 2,2'-(Vinylenedi-p-phenylene)bisbenzoxazole, 2,2'-(Vinylenedi-4-phenylene)bis(benzoxazole), 2,2'-(1,2-Ethenediyldi-4,1-phenylene)bisbenzoxazole, 2,2'-(1,2-ETHENEDIYLDI-4,1-PHENYLENE)BISBENZOXA*, Benzoxazole, 2,2'-(1,2-ethenediyldi-4,1-phenylene)bis-, 120366-98-5

Molecular Formula: C28H18N2O2Molecular Weight: 414.454720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ORACIQIJMCYPHQ-MDZDMXLPSA-N

• 3-Thiopheneethanol
IUPAC Name: 2-thiophen-3-ylethanol | CAS Registry Number: 13781-67-4
Synonyms: 2-(3-Thienyl)ethanol, Thiophene-3-ethanol, Ambap1686, 3-(2-Hydroxyethyl)thiophene, 228796_ALDRICH, EINECS 237-434-7, ZINC00391956, InChI=1/C6H8OS/c7-3-1-6-2-4-8-5-6/h2,4-5,7H,1,3H

Molecular Formula: C6H8OSMolecular Weight: 128.192120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: YYPNNBPPDFTQFX-UHFFFAOYSA-N

• 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid
IUPAC Name: 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoic acid | CAS Registry Number: 5809-23-4
Synonyms: Ambap2186, Oprea1_291995, Oprea1_606815, MLS000035475, EINECS 227-370-8, NSC625797, AIDS132277, AIDS-132277, BAS 01317246, NCI60_008083, SMR000123090, 2-(4-(Diethylamino)-2-hydroxybenzoyl)benzoic acid, Benzoic acid, o-(4-(diethylamino)salicyloyl)-, LS-195368, 2-(4-Diethylamino-2-hydroxy-benzoyl)-benzoic acid, Benzoic acid, 2-(4-(diethylamino)-2-hydroxybenzoyl)-, Benzoic acid, 2-[4-(diethylamino)-2-hydroxybenzoyl]-, 52470-08-3, 53558-66-0

Molecular Formula: C18H19NO4Molecular Weight: 313.347760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: FQNKTJPBXAZUGC-UHFFFAOYSA-N

• 2,4-Diamino-6-(Hydroxymethyl)Pteridine
IUPAC Name: (2,4-diaminopteridin-6-yl)methanol | CAS Registry Number: 945-24-4
Synonyms: Oprea1_073806, 861634_ALDRICH, DC329, 2,4-Diamino-6-pteridinemethanol, 6-Hydroxymethyl-2,4-pteridinediamine, CHEBI:225655, AIDS007008, BB_NC-1270, 2,4-Diaminopteridine-6-ylmethanol, NSC 639363, AIDS-007008, CID70347, 6-Pteridinemethanol, 2,4-diamino-, EINECS 213-412-2, 2,4-Diamino-6-(hydroxymethyl)pteridine, NSC253944, NSC639363, ZINC00039586, NSC 253944, SD-096950

Molecular Formula: C7H8N6OMolecular Weight: 192.178020 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: CYNARAWTVHQHDI-UHFFFAOYSA-N

• 1-Naphthyl Acetate
IUPAC Name: naphthalen-1-yl acetate | CAS Registry Number: 830-81-9
Synonyms: 1-Naphthyl acetate, alpha-Naphthyl acetate, 1-Naphthol, acetate, a-Naphthyl acetate, 1-Acetoxynaphthalene, Naphthyl acetate, 1-Naphthylacetate, 1-Naphthyl a, alpha-Naphthol acetate, Naphthalene, 1-acetoxy-, alpha-Acetoxynaphthalene, Naphthalenol, acetate, 1-NAPHTHALENOL, ACETATE, .alpha.-Naphthyl acetate, Acetic acid 1-naphthyl ester, 1-Naphthalenol, 1-acetate, ALPHA-NAPHTHYL-ACETATE, 916_SIGMA, N8505_SIGMA, alpha-Naphthyl acetate solution

Molecular Formula: C12H10O2Molecular Weight: 186.206600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VGKONPUVOVVNSU-UHFFFAOYSA-N

• 5H-Pyrrolo[3,4-B]pyridine-5,7(6H)-Dione
IUPAC Name: pyrrolo[3,4-b]pyridine-5,7-dione | CAS Registry Number: 4664-00-0
Synonyms: Quinolinimide, Quinolinic acid imide, 3-Azaphthalimid, Pyridinedicarboxamide, 2,3-Pyridinedicarboximide, 3-Azaphthalimid [German], Pyridine-2,3-dicarboximide, NCIOpen2_003687, Oprea1_241203, EINECS 225-107-1, MolPort-000-150-234, NSC405554, AIDS017060, NSC 405554, AIDS-017060, CID72829, BRN 0125055, AKJ-93366, ZINC00334954, 5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione

Molecular Formula: C7H4N2O2Molecular Weight: 148.118860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZRKGTINFVOLLNT-UHFFFAOYSA-N

• 1,6-Dibromohexane
IUPAC Name: 1,6-dibromohexane | CAS Registry Number: 629-03-8
Synonyms: Hexamethylene dibromide, 1,6-Dibromo-n-hexane, 1,6-Dibromohexan, alpha,omega-Dibromohexane, HEXANE, 1,6-DIBROMO-, 1,6-Dibromohexan [German], WLN: E6E, D41007_ALDRICH, 1,6-Dibromohexan [German], NSC 7306, 34191_FLUKA, EINECS 211-067-2, NSC7306, CID12368, BRN 1236322, AI3-11008, LS-75065, TL8004310, 4-01-00-00354 (Beilstein Handbook Reference), InChI=1/C6H12Br2/c7-5-3-1-2-4-6-8/h1-6H

Molecular Formula: C6H12Br2Molecular Weight: 243.967480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SGRHVVLXEBNBDV-UHFFFAOYSA-N

• 1 Phenyl 3 Methyl 5 Pyrazolone
IUPAC Name: 5-methyl-2-phenyl-4H-pyrazol-3-one | CAS Registry Number: 89-25-8
Synonyms: edaravone, Norphenazone, Radicut, Norantipyrine, Developer Z, edarabone, Methylphenylpyrazolone, Phenylmethylpyrazolone, C.I. Developer 1, CI Developer 1, Phenyl methyl pyrazolone, Radicut (TN), 1-Phenyl-3-methyl-5-pyrazolone, 1-Phenyl-3-methylpyrazolone, Spectrum_000267, Tocris-0786, MCI-186, Edaravone (JAN/INN), 3-Methyl-1-phenyl-5-pyrazolone, Maybridge1_005738

Molecular Formula: C10H10N2OMolecular Weight: 174.199200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QELUYTUMUWHWMC-UHFFFAOYSA-N

• 1,3,4,5-Tetrachloro-2,6-Dicyanobenzene
IUPAC Name: 2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile | CAS Registry Number: 1897-45-6
Synonyms: Daconil, CHLOROTHALONIL, Bravo, Chloroalonil, Terraclactyl, Clortosip, Dacosoil, Exotherm, Nopcocide, Forturf, Repulse, Termil, Faber, Sweep, Exotherm termil, m-Tcpn, Clortocaf ramato, Daconil Flowable, meta-TCPN, Chlorothanonil

Molecular Formula: C8Cl4N2Molecular Weight: 265.911000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CRQQGFGUEAVUIL-UHFFFAOYSA-N

• 1,3,5-Tribromobenzene
IUPAC Name: 1,3,5-tribromobenzene | CAS Registry Number: 626-39-1
Synonyms: 1,3,5-TRIBROMOBENZENE, Benzene, 1,3,5-tribromo-, NCIOpen2_008123, 140066_ALDRICH, NSC62439, 90715_FLUKA, EINECS 210-947-3, NSC 62439, CID12279, AI3-15483, LS-32209, TL806114, ST5406609, InChI=1/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3

Molecular Formula: C6H3Br3Molecular Weight: 314.800020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: YWDUZLFWHVQCHY-UHFFFAOYSA-N

• 1,3-Dichloroacetone
IUPAC Name: 1,3-dichloropropan-2-one | CAS Registry Number: 534-07-6
Synonyms: s-Dichloroacetone, sym-Dichloroacetone, 1,3-Dichloropropanone, sGQDLHbqBRwSP@, Bis(chloromethyl) ketone, 2-Propanone, 1,3-dichloro-, Bis(chloromethyl)ketone, 1,3-Dichloro-2-propanone, Acetone, 1,3-dichloro, Ambap2889, BISCHLOROMETHYL KETONE, .alpha.,.alpha.'-Dichloroacetone, CCRIS 1942, 1,3-Dichloroacetona [Spanish], 1,3-Dichloroacetone solution, Dichloro-1,3 acetone [French], HSDB 6391, 168548_ALDRICH, NSC 8745, .alpha.,.gamma.-Dichloroacetone

Molecular Formula: C3H4Cl2OMolecular Weight: 126.969260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SUNMBRGCANLOEG-UHFFFAOYSA-N

• 2,4,6-Tribromoaniline
IUPAC Name: 2,4,6-tribromoaniline | CAS Registry Number: 147-82-0
Synonyms: s-Tribromoaniline, Aniline tribromide, sym-Tribromoaniline, 2,4,6-TRIBROMOANILINE, Aniline, 2,4,6-tribromo-, Benzenamine, 2,4,6-tribromo-, TRIBROMOANILINE, 2,4,6-Tribromophenylamine, USAF DO-43, 2,4,6-Tribromobenzenamine, WLN: ZR BE DE FE, HSDB 2689, 163694_ALDRICH, NSC 2216, EINECS 205-700-1, NSC2216, AIDS019006, AIDS-019006, BRN 2209258, ZINC00262690

Molecular Formula: C6H4Br3NMolecular Weight: 329.814660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GVPODVKBTHCGFU-UHFFFAOYSA-N

• 2,6-Dichlorophenol
IUPAC Name: 2,6-dichlorophenol | CAS Registry Number: 87-65-0
Synonyms: 2,6-DICHLOROPHENOL, Phenol, 2,6-dichloro-, 2,6-Dichlorfenol, RCRA waste no. U082, RCRA waste number U082, 2,6-Dichlorfenol [Czech], WLN: QR BG FG, CCRIS 2511, D70201_ALDRICH, HSDB 4240, 35990_RIEDEL, 442325_SUPELCO, CHEBI:28457, EINECS 201-761-3, 2,6-DCP, 2,6-DCP, 2,6-Dichlorophenol, NSC 60647, 2,6-Dichlorophenol (2,6-DCP), NSC60647, BRN 1447806

Molecular Formula: C6H4Cl2OMolecular Weight: 163.001360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HOLHYSJJBXSLMV-UHFFFAOYSA-N

• 2 Amino Phenol 4 S.A.
IUPAC Name: 3-amino-4-hydroxybenzenesulfonic acid | CAS Registry Number: 98-37-3
Synonyms: 2-Amino-4-sulfophenol, 4-Hydroxymetanilic acid, 2-Hydroxy-5-sulfoaniline, o-Aminophenol-p-sulfonic acid, 2-Amino-1-phenol-4-sulfonic acid, 3-Amino-4-hydroxybenzenesulfonic acid, Metanilic acid, 4-hydroxy-, 2-AMINOPHENOL-4-SULFONIC ACID, CCRIS 4584, Benzenesulfonic acid, 3-amino-4-hydroxy-, 4-Hydroxy-3-aminobenzenesulfonic acid, NSC 1491, 09180_FLUKA, EINECS 202-662-8, NSC1491, AIDS020195, 3-Amino-4-hydroxybenzenesulphonic acid, AIDS-020195, Metanilic acid, 4-hydroxy- (8CI), AI3-14898

Molecular Formula: C6H7NO4SMolecular Weight: 189.189080 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: ULUIMLJNTCECJU-UHFFFAOYSA-N

• 2-Aminopyridine
IUPAC Name: pyridin-2-amine | CAS Registry Number: 504-29-0
Synonyms: 2-Pyridinamine, 2-AMINOPYRIDINE, 2-Pyridylamine, o-Aminopyridine, 2-Aminopryidine, Aminopyridine, Pyridinamine, pyridin-2-amine, alpha-Pyridinamine, alpha-Pyridylamine, Amino-2 pyridine, Pyridine, amino-, 2-Pyridinylnitrene, alpha-Aminopyridine, 2-pyridinylamine, Pyridine, 2-amino-, .beta.-Pyridylamine, .alpha.-Pyridinamine, .alpha.-Pyridylamine, Pyridinamine (9CI)

Molecular Formula: C5H6N2Molecular Weight: 94.114540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ICSNLGPSRYBMBD-UHFFFAOYSA-N

• 2,2'-Dithiosalicylic Acid
IUPAC Name: 2-(2-carboxyphenyl)disulfanylbenzoic acid | CAS Registry Number: 119-80-2
Synonyms: Dithiosalicylic acid, 2,2'-Dithiodibenzoic acid, Bis(2-carboxyphenyl) disulfide, 2-Carboxyphenyl disulfide, Bis(o-carboxylphenyl) disulfide, Disulfide benzamide analog, Benzoic acid, 2,2'-dithiobis-, Bis(o-carboxyphenyl) disulfide, 2,2'-Dithiodi(benzoic acid), 2,2'-Dithiosalicylic acid, NSC213, 2,2'-Dithiobis(benzoic acid), MLS001216615, NSC 213, NSC5346, 2,2'-Dithiobis[benzoic acid], 389285_ALDRICH, NSC 5346, 43761_FLUKA, BENZOIC ACID, 2,2'-DITHIODI-

Molecular Formula: C14H10O4S2Molecular Weight: 306.356800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LBEMXJWGHIEXRA-UHFFFAOYSA-N

• 2,3,4-Trifluoronitrobenzene
IUPAC Name: 1,2,3-trifluoro-4-nitrobenzene | CAS Registry Number: 771-69-7
Synonyms: Ambap5910, 1,2,3-Trifluoro-4-nitrobenzene, 338362_ALDRICH, 4-Nitro-1,2,3-trifluorobenzene, ZINC01845704, CID69871, EINECS 212-238-4, Benzene, 1,2,3-trifluoro-4-nitro-, T135

Molecular Formula: C6H2F3NO2Molecular Weight: 177.080790 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: ARCACZWMYGILNI-UHFFFAOYSA-N

• 2,3,4-Trihydroxybenzaldehyde
IUPAC Name: 2,3,4-trihydroxybenzaldehyde | CAS Registry Number: 2144-08-3
Synonyms: Benzaldehyde, 2,3,4-trihydroxy-, Pyrogallol-4-carboxaldehyde, 260843_ALDRICH, 91935_FLUKA, EINECS 218-404-2, NSC 22595, NSC22595, BRN 2328658, ZINC01595754, LS-25167, ST5411837, 3-08-00-03357 (Beilstein Handbook Reference), InChI=1/C7H6O4/c8-3-4-1-2-5(9)7(11)6(4)10/h1-3,9-11

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

InChIKey: CRPNQSVBEWWHIJ-UHFFFAOYSA-N

• 2,4-Dinitrochlorobenzene
IUPAC Name: 1-chloro-2,4-dinitrobenzene | CAS Registry Number: 97-00-7
Synonyms: Dinitrochlorobenzene, 1-chloro-2,4-dinitrobenzene, CDNB, DNCB, Dinitrochlorobenzol, Chlorodinitrobenzene, Caswell No. 389C, Benzene, 1-chloro-2,4-dinitro-, 2,4-Dinitrophenyl chloride, Dinitrochlorobenzene (VAN), 1,3-Dinitro-4-chlorobenzene, 2,4-Dinitro-1-chlorobenzene, 4-Chloro-1,3-dinitrobenzene, CID6, 1-Chlor-2,4-dinitrobenzol, WLN: WNR BG ENW, 1-Chlor-2,4-dinitrobenzene, 6-Chloro-1,3-dinitrobenzene, C6H3ClN2O4, CCRIS 1799

Molecular Formula: C6H3ClN2O4Molecular Weight: 202.552020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: VYZAHLCBVHPDDF-UHFFFAOYSA-N

• 2,4,6-Trichlorophenol
IUPAC Name: 2,4,6-trichlorophenol | CAS Registry Number: 88-06-2
Synonyms: Phenachlor, Dowicide 2S, Phenaclor, 2,4,6-TRICHLOROPHENOL, OMAL, Dowcide 2S, Phenol, 2,4,6-trichloro-, 2,4,6-Trichlorfenol, RCRA waste no. U231, RCRA waste number U231, 1,3,5-Trichlorophenol, PS10_SUPELCO, 2,4,6-:trichlorophenol, CCRIS 605, WLN: QR BG DG FG, Trichlorophenol, 2,4,6-, NCI-C02904, 2,4,6-Trichlorfenol [Czech], T55301_ALDRICH, HSDB 4013

Molecular Formula: C6H3Cl3OMolecular Weight: 197.446420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LINPIYWFGCPVIE-UHFFFAOYSA-N

• 2,4-Dichloro-5-Fluoro Acetophenone
IUPAC Name: 1-(2,4-dichloro-5-fluorophenyl)ethanone | CAS Registry Number: 704-10-9
Synonyms: Maybridge1_002348, DivK1c_001100, 2',4'-Dichloro-5'-fluoroacetophenone, 457345_ALDRICH, CDS1_000060, CID727250, ZINC00136315, D105, Acetophenone, 2',4'-dichloro-5'-fluoro-, ST5307327, TL8004969, SR-01000641018-1, InChI=1/C8H5Cl2FO/c1-4(12)5-2-8(11)7(10)3-6(5)9/h2-3H,1H

Molecular Formula: C8H5Cl2FOMolecular Weight: 207.029103 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FAKJFAMIABOKBW-UHFFFAOYSA-N

• 2,4-Dichloro Thiophenol
IUPAC Name: 2,4-dichlorobenzenethiol | CAS Registry Number: 1122-41-4
Synonyms: 2,4-Dichlorobenzenethiol, 2,4-Dichlorothiophenol, Benzenethiol, 2,4-dichloro-, 540862_ALDRICH, EINECS 214-346-7, CID70730, TL 00291, TL8006736

Molecular Formula: C6H4Cl2SMolecular Weight: 179.066960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FGBVJFREPSJSNG-UHFFFAOYSA-N

• 2,5-Dichloronitrobenzene
IUPAC Name: 1,4-dichloro-2-nitrobenzene | CAS Registry Number: 89-61-2
Synonyms: Nitro-p-dichlorobenzene, 2,5-DICHLORONITROBENZENE, 2,5-Dichloronitrobenzol, 1,4-Dichloro-2-nitrobenzene, 2,5-Dichlornitrobenzen, 1-Nitro-2,5-dichlorobenzene, Benzene, 1,4-dichloro-2-nitro-, Benzene, 2,5-dichloronitro-, WLN: WNR CG EG, CCRIS 3096, 2,5-Dichlornitrobenzen [Czech], 225371_ALDRICH, 36572_RIEDEL, 36040_FLUKA, EINECS 201-923-3, NSC6294, NSC 406125, BRN 0778109, NSC406125, ZINC01693389

Molecular Formula: C6H3Cl2NO2Molecular Weight: 191.999520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RZKKOBGFCAHLCZ-UHFFFAOYSA-N

• 2,6-Dimethyl Piperazine
IUPAC Name: 2,6-dimethylpiperazine | CAS Registry Number: 108-49-6
Synonyms: 2,6-Dimethylpiperazine, Piperazine, 2,6-dimethyl-, D179809_ALDRICH, Piperazine, 2,6-dimethyl-, cis-, NSC49197, EINECS 203-588-9, NSC 49197, TL8000282, InChI=1/C6H14N2/c1-5-3-7-4-6(2)8-5/h5-8H,3-4H2,1-2H

Molecular Formula: C6H14N2Molecular Weight: 114.188760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IFNWESYYDINUHV-UHFFFAOYSA-N

• 2-Acetyl Pyridine
IUPAC Name: 1-pyridin-2-ylethanone | CAS Registry Number: 1122-62-9
Synonyms: 2-ACETYLPYRIDINE, Acetylpyridine, 2-Acetopyridine, Ketone, methyl 2-pyridyl, Methyl 2-pyridyl ketone, 2-Pyridyl methyl ketone, Ethanone, 1-(2-pyridinyl)-, 1-(2-Pyridinyl)ethanone, 1-pyridin-2-ylethanone, 2-Acetylpyridine (natural), FEMA No. 3251, CCRIS 7784, A21002_ALDRICH, FEMA 3251, MLS002152864, W325104_ALDRICH, 61803_FLUKA, EINECS 214-355-6, NSC 15043, CID14286

Molecular Formula: C7H7NOMolecular Weight: 121.136580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AJKVQEKCUACUMD-UHFFFAOYSA-N

• 2-Amino-4-Nitrophenol
IUPAC Name: 2-amino-4-nitrophenol | CAS Registry Number: 99-57-0
Synonyms: p-Nitro-o-aminophenol, 2-AMINO-4-NITROPHENOL, ursol 4gl, 4-Nitro-2-aminophenol, 2-Hydroxy-5-nitroaniline, Rodol 42, Phenol, 2-amino-4-nitro-, 4-Nitro-2-aminofenol, p-Nitroaminofenol [Polish], 3-Amino-4-hydroxynitrobenzene, 2-Amino-4-nitro-phenol, WLN: ZR BQ ENW, CCRIS 890, NCI-C55958, 1-Nitro-3-amino-4-hydroxybenzene, 2-Amino-4-nitrofenol [Czech], 4-Nitro-2-aminofenol [Czech], A70402_ALDRICH, HSDB 4165, MLS000331524

Molecular Formula: C6H6N2O3Molecular Weight: 154.123440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: VLZVIIYRNMWPSN-UHFFFAOYSA-N

• 2-Amino-6-Methylsulphonyl Benzothiazole
IUPAC Name: 6-methylsulfonyl-1,3-benzothiazol-2-amine | CAS Registry Number: 17557-67-4
Synonyms: Maybridge1_008993, MixCom3_000185, Oprea1_366974, MLS000084909, 2-Aminobenzothiazole-6-methyl sulfone, EINECS 241-537-2, AIDS108382, 2-Aminobenzothiazolyl-6 methyl sulfone, 2-Benzothiazolamine, 6-(methylsulfonyl)-, 6-(Methylsulfonyl)-2-benzothiazolamine, 6-Methylsulphonylbenzothiazol-2-ylamine, AIDS-108382, 2-Amino-6-(methylsulfonyl)benzothiazole, ZINC00129448, SDCCGMLS-0054993.P002, 6-(Methylsulfonyl)benzothiazole-2-ylamine, LS-40631, SMR000019255, ST5194157, 6-(methylsulfonyl)-1,3-benzothiazol-2-amine

Molecular Formula: C8H8N2O2S2Molecular Weight: 228.291320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZYHNHJAMVNINSY-UHFFFAOYSA-N

• 2-Bromobutane
IUPAC Name: 2-bromobutane | CAS Registry Number: 78-76-2
Synonyms: Butane, 2-bromo-, 2-Butyl bromide, SEC-BUTYL BROMIDE, Methylethylbromomethane, sJPHAbILuP@, Secondary butyl bromide, CCRIS 106, B59500_ALDRICH, HSDB 2197, WLN: EY2&1, NSC 8417, 19690_FLUKA, EINECS 201-140-7, NSC8417, UN2339, BRN 0505949, AI3-25262, LS-45623, 2-Bromobutane [UN2339] [Flammable liquid], 2-Bromobutane [UN2339] [Flammable liquid]

Molecular Formula: C4H9BrMolecular Weight: 137.018260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: UPSXAPQYNGXVBF-UHFFFAOYSA-N

• 2-Chloro-5-Nitrobenzoic Acid
IUPAC Name: 2-chloro-5-nitrobenzoic acid | CAS Registry Number: 2516-96-3
Synonyms: 2-CHLORO-5-NITROBENZOIC ACID, Benzoic acid, 2-chloro-5-nitro-, 6-Chloro-3-nitrobenzoic acid, 125113_ALDRICH, NSC8441, AIDS019398, BB_SC-2802, AIDS-019398, NSC 8441, EINECS 219-739-7, 2-CHLORO,5-NITRO-BENZOIC ACID, AI3-16578, TL8002047, InChI=1/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11

Molecular Formula: C7H4ClNO4Molecular Weight: 201.563960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QUEKGYQTRJVEQC-UHFFFAOYSA-N

• 2-Chlorobenzaldehyde
IUPAC Name: 2-chlorobenzaldehyde | CAS Registry Number: 89-98-5
Synonyms: Benzaldehyde, 2-chloro-, Benzaldehyde, o-chloro-, Chlorobenzaldehyde, 2-Chlorbenzaldehyd, 2-Clorobenzaldeide, o-Chloorbenzaldehyde, O-CHLOROBENZALDEHYDE, 2-Chloorbenzaldehyde, USAF M-7, o-Chlorobenzenecarboxaldehyde, WLN: VHR BG, 2-Chlorbenzaldehyd [German], o-Chloorbenzaldehyde [Dutch], 2-Chloorbenzaldehyde [Dutch], 2-Clorobenzaldeide [Italian], CCRIS 5991, HSDB 2727, Benzaldehyde, chloro- (9CI), 124974_ALDRICH, 23470_FLUKA

Molecular Formula: C7H5ClOMolecular Weight: 140.567000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FPYUJUBAXZAQNL-UHFFFAOYSA-N

• 2-Chloropyrazine
IUPAC Name: 2-chloropyrazine | CAS Registry Number: 14508-49-7
Synonyms: Chloropyrazine, Pyrazine, chloro-, pyrazine, 2-chloro-, Prestwick0_001087, Prestwick1_001087, Prestwick2_001087, Prestwick3_001087, BSPBio_001134, SPBio_003027, 132489_ALDRICH, BPBio1_001248, AIDS081850, AIDS-081850, EINECS 238-517-0, ZINC02008821, NCGC00016707-01, NCGC00016707-02, AC 15806, CAS-14508-49-7, AB00514039

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

InChIKey: GELVZYOEQVJIRR-UHFFFAOYSA-N

• 4-Chloro-2-Amino Benzoic Acid
IUPAC Name: 2-amino-4-chlorobenzoic acid | CAS Registry Number: 89-77-0
Synonyms: 4-Chloroanthranilic acid, 4-Chloroanthranil acid, 2-Amino-4-chlorobenzoic acid, 4-Chloro anthranilic acid, Benzoic acid, 2-amino-4-chloro-, A45467_ALDRICH, Anthranilic acid, 4-chloro-, 07353_FLUKA, EINECS 201-938-5, NSC17188, BRN 0743349, AI3-52450, LS-35696, Anthranilic acid, 4-chloro- (6CI,7CI,8CI), 2-AMINO-4-CHLOROBENZOIC ACID, TECH, ST5406310, TL8005783, A-5331, 4-14-00-01072 (Beilstein Handbook Reference), InChI=1/C7H6ClNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11

Molecular Formula: C7H6ClNO2Molecular Weight: 171.581040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JYYLQSCZISREGY-UHFFFAOYSA-N

• 5-Mercapto-1-Methyl-Ih-Tetrazole
IUPAC Name: 1-methyl-2H-tetrazole-5-thione | CAS Registry Number: 13183-79-4
Synonyms: N-Methyltetrazolethiol, 5-Mercapto-1-methyltetrazole, 1-Methyl-5-mercaptotetrazole, 1-Methyl-5-tetrazolethione, 1-Methyl-5-tetrazolinethione, 1-N-Methyl-5-thiotetrazole, 1-Methyl-1H-tetrazole-5-thiol, 1-Methyltetrazole-5-thiol, 1-Methyl-5-mercapto-1H-tetrazole, 1H-Tetrazole-5-thiol, 1-methyl-, 357871_ALDRICH, EINECS 236-132-2, NSC 520787, 1-Methyl-5-mercapto-1,2,3,4-tetrazole, NSC520787, ZINC03843103, ZINC04533852, 5H-Tetrazole-5-thione, 1,2-dihydro-1-methyl-, 1,2-Dihydro-1-methyl-5H-tetrazole-5-thione, LS-149189

Molecular Formula: C2H4N4SMolecular Weight: 116.144960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XOHZHMUQBFJTNH-UHFFFAOYSA-N

• 5-Methoxyindole-3-Aldehyde
IUPAC Name: 5-methoxy-1H-indole-3-carbaldehyde | CAS Registry Number: 10601-19-1
Synonyms: 3-Formyl-5-methoxyindole, Oprea1_121493, M14943_ALDRICH, 5-Methoxyindole-3-carboxaldehyde, MLS000575461, 5-Methoxyindole-3-carbaldehyde, ZERO/005117, NSC521754, CID82758, 5-Methoxy-1H-indole-3-carbaldehyde, EINECS 234-220-5, ZINC00286557, 1H-Indole-3-carboxaldehyde, 5-methoxy-, SMR000184711, TL8000226, M-3490

Molecular Formula: C10H9NO2Molecular Weight: 175.183960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: TUWARWGEOHQXCO-UHFFFAOYSA-N

• 2,4-Dichloroacetophenone
IUPAC Name: 2-chloro-1-(4-chlorophenyl)ethanone | CAS Registry Number: 937-20-2
Synonyms: 2,4'-Dichloroacetophenone, p-Chlorophenacyl chloride, 4-Chlorophenacyl chloride, 392006_ALDRICH, Acetophenone, 2,4'-dichloro-, 2-chloro-1-(4-chlorophenyl)ethanone, .alpha.-Chloro-p-chloroacetophenone, .omega.-Chloro-p-chloroacetophenone, NSC41669, EINECS 213-323-9, Halomethyl Phenyl Ketone deriv. 22, ZINC01673522, Ethanone, 2-chloro-1-(4-chlorophenyl)-, InChI=1/C8H6Cl2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H

Molecular Formula: C8H6Cl2OMolecular Weight: 189.038640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FWDFNLVLIXAOMX-UHFFFAOYSA-N

• 1-(2'-Hydroxyethyl)-2,2,6,6-tetramethyl-4-piperidine
IUPAC Name: 1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-ol | CAS Registry Number: 52722-86-8
Synonyms: EINECS 258-132-1, ZERO/009337, CID104301, 4-Hydroxy-2,2,6,6-tetramethylpiperidine-1-ethanol, 1-Piperidineethanol, 4-hydroxy-2,2,6,6-tetramethyl-, 1-(2-Hydroxyethyl)-4-hydroxy-2,2,6,6-tetramethylpiperidine, 116543-66-9, 117247-95-7

Molecular Formula: C11H23NO2Molecular Weight: 201.305820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: STEYNUVPFMIUOY-UHFFFAOYSA-N

• 1,3-Dimethylurea
IUPAC Name: 1,3-dimethylurea | CAS Registry Number: 96-31-1
Synonyms: N,N'-Dimethylurea, sym-Dimethylurea, N,N-Dimethylurea, Urea, N,N'-dimethyl-, 1,3-DIMETHYLUREA, Urea, 1,3-dimethyl-, Symmetric dimethylurea, 1.3-Dimethylurea, N,N'-Dimethylharnstoff, CCRIS 2509, UREA,1,3-DIMETHYL, WLN: 1MVM1, HSDB 3423, N,N'-Dimethylharnstoff [German], 15450_RIEDEL, 36574_RIEDEL, 40410_FLUKA, EINECS 202-498-7, NSC 14910, NSC14910

Molecular Formula: C3H8N2OMolecular Weight: 88.108420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: MGJKQDOBUOMPEZ-UHFFFAOYSA-N

• 2-Bromophenylhydrazine HCL
IUPAC Name: (2-bromophenyl)hydrazine | CAS Registry Number: 50709-33-6
Synonyms: 2-Bromophenylhydrazine, 1-(2-Bromophenyl)hydrazine, Hydrazine, (2-bromophenyl)-, EINECS 240-797-4, NSC157601, ZINC00088591, A2521/0107145, 16732-66-4

Molecular Formula: C6H7BrN2Molecular Weight: 187.037180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZWMQVBSLMQSMDH-UHFFFAOYSA-N

• 1,1,3,3-Tetramethyl-2-Thiourea
IUPAC Name: 1,1,3,3-tetramethylthiourea | CAS Registry Number: 2782-91-4
Synonyms: Basthioryl, Thiourea, tetramethyl-, TETRAMETHYLTHIOUREA, TMTU, Tetramethyl-2-thiourea, N,N,N',N'-Tetramethylthiourea, Urea, thio-, tetramethyl-, 1,1,3,3-Tetramethylthiourea, CCRIS 4871, Urea, 1,1,3,3-tetramethyl-2-thio-, 1,1,3,3-Tetramethyl-2-thiourea, HSDB 6777, NA-101, 115169_ALDRICH, EINECS 220-488-0, NSC 102499, CID17725, BRN 1744916, thiourea, N,N,N',N'-tetramethyl-, NSC102499

Molecular Formula: C5H12N2SMolecular Weight: 132.227180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: MNOILHPDHOHILI-UHFFFAOYSA-N

• 2-Bromo-4-Fluoroaniline
IUPAC Name: 2-bromo-4-fluoroaniline | CAS Registry Number: 1003-98-1
Synonyms: 2-Bromo-4-fluoroaniline, 2-Bromo-4-fluorobenzenamine, 369055_ALDRICH, NSC51870, CID242873, ZINC00159787, ST5408548, TL8000048

Molecular Formula: C6H5BrFNMolecular Weight: 190.013003 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YLMFXCIATJJKQL-UHFFFAOYSA-N

• 2-Bromo-4-NitroToluene
IUPAC Name: 2-bromo-1-methyl-4-nitrobenzene | CAS Registry Number: 7745-93-9
Synonyms: 2-Bromo-4-nitrotoluene, B74402_ALDRICH, Toluene, 2-bromo-4-nitro-, 1-Bromo-2-methyl-5-nitrobenzene, 2-Bromo-1-methyl-4-nitrobenzene, Benzene, 2-bromo-1-methyl-4-nitro-, EINECS 231-809-9, NSC402166, SBB007843, ZINC01081254, FR-0441, TL80073548, AE-641/04636041

Molecular Formula: C7H6BrNO2Molecular Weight: 216.032040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XFZFJQHXWJIBQV-UHFFFAOYSA-N

• 2-Chloro-5-Nitro Benzoyl Chloride
IUPAC Name: 2-chloro-5-nitrobenzoyl chloride | CAS Registry Number: 25784-91-2
Synonyms: 2-Chloro-5-nitrobenzoyl chloride, Benzoyl chloride, 2-chloro-5-nitro-, ZINC02522758, EINECS 247-262-4, CID117637, InChI=1/C7H3Cl2NO3/c8-6-2-1-4(10(12)13)3-5(6)7(9)11/h1-3

Molecular Formula: C7H3Cl2NO3Molecular Weight: 220.009620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OGLKKYALUKXVPQ-UHFFFAOYSA-N

• 2-Cyanomethyl Benzimidazole
IUPAC Name: 2-(1H-benzimidazol-2-yl)acetonitrile | CAS Registry Number: 4414-88-4
Synonyms: 2-Benzimidazolylacetonitrile, 2-Cyanomethylbenzimidazole, 2-Kyanmethylbenzimidazol, 1H-Benzimidazole-2-acetonitrile, Enamine_003017, Benzimidazole, 2-cyanomethyl-, Acetonitrile, 2-benzimidazolyl-, (2-Benzimidazolyl)acetonitrile, 2-BENZIMIDAZOLEACETONITRILE, B5291_ALDRICH, 2-(Cyanomethyl)benzimidazole, Oprea1_467984, (Benzimidazol-2-yl)ethanenitrile, 2-Kyanmethylbenzimidazol [Czech], ARONIS020221, 12263_FLUKA, EINECS 224-574-9, ZERO/005566, 1H-Benzimidazol-2-ylacetonitrile, WLN: T56 BM DNJ C1CN

Molecular Formula: C9H7N3Molecular Weight: 157.171980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BWOVACANEIVHST-UHFFFAOYSA-N

• 2-Fluoro Benzaldehyde
IUPAC Name: 2-fluorobenzaldehyde | CAS Registry Number: 446-52-6
Synonyms: 2-Fluorobenzaldehyde, o-Fluorobenzaldehyde, Benzaldehyde, 2-fluoro-, Benzaldehyde, o-fluoro-, F4807_ALDRICH, Benzaldehyde, o-fluoro- (8CI), EINECS 207-171-2, NSC 66829, NSC66829, BRN 0507155, ZINC00157161, LS-25048, ST5213339, 4-07-00-00559 (Beilstein Handbook Reference), InChI=1/C7H5FO/c8-7-4-2-1-3-6(7)5-9/h1-5

Molecular Formula: C7H5FOMolecular Weight: 124.112403 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZWDVQMVZZYIAHO-UHFFFAOYSA-N

• 2-Methoxy-5-Sulfamoyl Benzoic Acid
IUPAC Name: 2-methoxy-5-sulfamoylbenzoic acid | CAS Registry Number: 22117-85-7
Synonyms: 5-Sulphamoyl-o-anisic acid, EINECS 244-789-1, ST5407390

Molecular Formula: C8H9NO5SMolecular Weight: 231.225760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: SQAILWDRVDGLGY-UHFFFAOYSA-N

• 2-Oxindole
IUPAC Name: 1,3-dihydroindol-2-one | CAS Registry Number: 59-48-3
Synonyms: Oxindole, 2-Indolinone, Indolin-2-one, Oxindol, 2-Oxoindoline, 1,3-Dihydroindol-2-one, Indol-2(3H)-one, indolin-2(1H)-one, 1,3-Dihydro-2H-indol-2-one, O9808_ALDRICH, 2H-Indol-2-one, 1,3-dihydro-, 57260_FLUKA, CHEBI:31697, CPD-6361, NSC274863, SBB004215, ZINC00058282, TL806283, C12312, AH-034/32845032

Molecular Formula: C8H7NOMolecular Weight: 133.147280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: JYGFTBXVXVMTGB-UHFFFAOYSA-N

• 3,5-Dichloro Bromo Benzene
IUPAC Name: 1-bromo-3,5-dichlorobenzene | CAS Registry Number: 19752-55-7
Synonyms: Maybridge1_000881, 1-BROMO-3,5-DICHLOROBENZENE, Benzene, 1-bromo-3,5-dichloro-, 277789_ALDRICH, EINECS 243-270-7, ST5405843, TL8001619, SR-01000640136-1, InChI=1/C6H3BrCl2/c7-4-1-5(8)3-6(9)2-4/h1-3

Molecular Formula: C6H3BrCl2Molecular Weight: 225.898020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: DZHFFMWJXJBBRG-UHFFFAOYSA-N


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