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Hallochem Pharma Co., Ltd.

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Profile: Hallochem Pharma Co., Ltd specializes in active pharmaceutical ingredients (API), veterinary drugs, agrochemicals, biochemicals, intermediates, and specialty chemicals. Our products include 10-deacetylbaccatin, 3-nitrosobenzamide, 6-mercaptopurine, abacavir, acebutolol hydrochloride, aceclofenac, aceglutamide aluminum, acemetacin, aciclovir, acipimox, and acitretin.

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• 1,3-Dichloro 5,5-Dimethylhydantoin
IUPAC Name: 1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione | CAS Registry Number: 118-52-5
Synonyms: Dantoin, Dactin, Daktin, Dichlorantin, Omchlor, Halane, Hydan, Sulfochloranthine, Hydan (antiseptic), Caswell No. 306, Hydantoin, dichlorodimethyl-, Dwuchlorantyny [Polish], Ambap2964, NCI-C03054, CCRIS 5900, HSDB 4373, 1,3-DICHLORO-5,5-DIMETHYLHYDANTOIN, 232807_ALDRICH, 1,3-Dichloro-5,5-dimethyl hydantoin, Hydantoin, 1,3-dichloro-5,5-dimethyl-

Molecular Formula: C5H6Cl2N2O2Molecular Weight: 197.019340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KEQGZUUPPQEDPF-UHFFFAOYSA-N

• 3- Dimethylaminopropan-1-Ol
IUPAC Name: 3-(dimethylamino)propan-1-ol | CAS Registry Number: 3179-63-3
Synonyms: dmap, Dimethylaminopropanol, Dimethylpropanolamine, N,N-Dimethylpropanolamine, 3-(Dimethlyamino)propanol, 3-(Dimethylamino)propanol, 1-Dimethylamino-3-propanol, 3-Dimethylaminopropanol, 1-Propanol, 3-(dimethylamino)-, 3-Dimethylamino-1-propanol, 3-Dimethylaminopropan-1-ol, 3-(Dimethylamino)-1-propanol, N,N-Dimethylaminopropanol, 3-(N,N-Dimethylamino)propanol, gamma-(Dimethylamino)propanol, .gamma.-(Dimethylamino)propanol, N,N-Dimethyl-3-hydroxypropylamine, 3-(Dimethylamino)1-propanol, 3-(N,N-Dimethylamino)-1-propanol, N,N-Dimethyl-gamma-aminopropanol

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

InChIKey: PYSGFFTXMUWEOT-UHFFFAOYSA-N

• 2,5-Dimethyl-2,5-dihydroxy-1,4-dithiane
IUPAC Name: 2,5-dimethyl-1,4-dithiane-2,5-diol | CAS Registry Number: 55704-78-4
Synonyms: 2-Mercaptopropanone, FEMA No. 3450, EINECS 259-770-3, 2,5-Dimethyl-p-dithiane-2,5-diol, NSC 176174, 1,4-Dithiane-2,5-diol, 2,5-dimethyl-, 2,5-Dimethyl-1,4-dithiane-2,5-diol, 2,5-Dimethyl-2,5-dihydroxy-p-dithiane, NSC176174, LS-2681, ST5405404

Molecular Formula: C6H12O2S2Molecular Weight: 180.288280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NHKIYYMFGJBOTK-UHFFFAOYSA-N

• 1,5,6,7-Tetrahydro-4H-indol-4-one
IUPAC Name: 1,5,6,7-tetrahydroindol-4-one | CAS Registry Number: 13754-86-4
Synonyms: 357839_ALDRICH, NSC131681, 1,5,6,7-Tetrahydro-4-indolone, CID280229, ZINC00389705, 8P-059, InChI=1/C8H9NO/c10-8-3-1-2-7-6(8)4-5-9-7/h4-5,9H,1-3H

Molecular Formula: C8H9NOMolecular Weight: 135.163160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KASJZXHXXNEULX-UHFFFAOYSA-N

• 5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
IUPAC Name: 5-chloro-1,3-dimethylpyrazole-4-carbaldehyde | CAS Registry Number: 27006-76-4
Synonyms: ZINC00159843, SBB005568, CID2777397

Molecular Formula: C6H7ClN2OMolecular Weight: 158.585580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SZRSMNYUEXXEBL-UHFFFAOYSA-N

• 3-Noradamantanecarboxylic Acid
Synonyms: ZINC04282762, ZINC04282753, CID11887833

Molecular Formula: C10H13O2-Molecular Weight: 165.209020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RXUUYFUQAGICCD-NLZKFAMNSA-M

• 4,6-Dihydroxy-2-methylmercaptopyrimide
IUPAC Name: 4-hydroxy-2-methylsulfanyl-1H-pyrimidin-6-one | CAS Registry Number: 1979-98-2
Synonyms: Maybridge4_004721, D114804_ALDRICH, 2-Methylthiopyrimidine-4,6-diol, 2-Methylthio-4,6-pyrimidinedione, NSC44557, EINECS 217-839-5, ZINC00155003, ZINC01995082, SDCCGMLS-0064589.P001, 4,6-Dihydroxy-2-(methylthio)pyrimidine, 4,6-Dihydroxy-2-methylmercaptopyrimidine, NCGC00175598-01, 4,6-Dihydroxy-2-(methylmercapto)pyrimidine, ST5101852, 4(1H)-Pyrimidinone, 6-hydroxy-2-(methylthio)-, 4,6-DIHYDROXY-2-METHYL-MERCAPTOPYRIMIDINE

Molecular Formula: C5H6N2O2SMolecular Weight: 158.178340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AEXCUJUYEZIWJV-UHFFFAOYSA-N

• 1-Adamantanemethylamine
IUPAC Name: 1-adamantylmethanamine | CAS Registry Number: 17768-41-1
Synonyms: 1-(Aminomethyl)adamantane, 1-(1-adamantyl)methanamine, Oprea1_307760, 180378_ALDRICH, IFLab1_006466, STOCK1S-59919, ZERO/001761, AIDS211746, AIDS-211746, ALBB-001490, EINECS 241-752-1, NSC285231, Tricyclo[3.3.1.1]decane-1-methanamine, Tricyclo(3.3.1.13,7)dec-1-ylmethylamine, Tricyclo[3.3.1.1(3,7)-]decane-1-methanamine

Molecular Formula: C11H19NMolecular Weight: 165.275260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: XSOHXMFFSKTSIT-UHFFFAOYSA-N

• 2-Amino-2-methylpropane nitrile
IUPAC Name: 2-amino-2-methylpropanenitrile | CAS Registry Number: 19355-69-2
Synonyms: 2-Aminoisobutyronitrile, 2-Cyanoisopropylamine, Vazo 64AN, Aminodimethylacetonitrile, alpha-Aminoisobutyronitrile, 2-Amino-2-methylpropanenitrile, 2-Amino-2-methylpropiononitrile, .alpha.-Aminoisobutyronitrile, Propanenitrile, 2-amino-2-methyl-, Propionitrile, 2-amino-2-methyl-, EINECS 242-989-3, LS-120848, ST5101636, Propionitrile, 2-amino-2-methyl- (6CI,7CI,8CI)

Molecular Formula: C4H8N2Molecular Weight: 84.119720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JQULXIOYDDCNGR-UHFFFAOYSA-N

• 7-Amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)thiomethyl]cephalosphoranic acid
IUPAC Name: (7R)-7-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 30246-33-4
Synonyms: EINECS 250-099-1, 7-AMINO-3-((5-METHYL-1,3,4-THIAZOL-2-YL)-THIOMETHYL)-CEPH-3-EM-4-CARBOXYLIC ACID, (6R-trans)-7-Amino-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

Molecular Formula: C11H12N4O3S3Molecular Weight: 344.432980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: HJSGHKMSDOLGJJ-VJSCVCEBSA-N

• 3-Amino-5-Mercapto-1,2,4-Triazole
IUPAC Name: 5-amino-1,2-dihydro-1,2,4-triazole-3-thione | CAS Registry Number: 16691-43-3
Synonyms: Iminothiourazole, 3-Imino-5-thiourazole, s-Triazole-3-thiol, 5-amino-, 3-Amino-5-mercapto-1,2,4-triazole, 3-Amino-1,2,4-triazole-5-thiol, ENT 61388, 140260_ALDRICH, EINECS 240-735-6, TOS-BB-1188, NSC 145149, 1,2,4-Triazolidine-3-thione, 5-imino-, NSC34807, 1,2-Triazolidine-3-thione, 5-imino-, NSC145149, ZINC03861092, ZINC04289077, ZINC04522749, AI3-61388, CID2723869, 3H-1,2,4-Triazole-3-thione, 5-amino-1,2-dihydro-

Molecular Formula: C2H4N4SMolecular Weight: 116.144960 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: WZUUZPAYWFIBDF-UHFFFAOYSA-N

• 2-Amino-4,6-Dimethoxy-1,3,5-Triazine
IUPAC Name: 4,6-dimethoxy-1,3,5-triazin-2-amine | CAS Registry Number: 16370-63-1
Synonyms: Maybridge1_006177, NSC100284, CID27840, ZINC00967443, 4,6-dimethoxy-1,3,5-triazin-2-amine, RF 03347, 2-AMINO-4,6-DIMETHOXY-S-TRIAZINE, AG-664/25040004, SR-01000632706-1

Molecular Formula: C5H8N4O2Molecular Weight: 156.142620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: KVHFZZUPCXCRIX-UHFFFAOYSA-N

• 3-Methyl-3-Pentanol
IUPAC Name: 3-methylpentan-3-ol | CAS Registry Number: 77-74-7
Synonyms: 3-Methylpentan-3-ol, 3-METHYL-3-PENTANOL, 3-Pentanol, 3-methyl-, Methyldiethylcarbinol, Diethyl methyl carbinol, Methyldiaethylcarbinol [German], M66900_ALDRICH, W508209_ALDRICH, 3-Methyl-pentanol-(3) [German], 68420_FLUKA, EINECS 201-053-4, CID6493, NSC 75837, NSC75837, BRN 1731456, LS-101903, 4-01-00-01723 (Beilstein Handbook Reference)

Molecular Formula: C6H14OMolecular Weight: 102.174760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: FRDAATYAJDYRNW-UHFFFAOYSA-N

• 1-Acetyladamantane
IUPAC Name: 1-(1-adamantyl)ethanone | CAS Registry Number: 1660-04-4
Synonyms: 1-Adamantyl methyl ketone, Ambap2137, 148237_ALDRICH, EINECS 216-761-9, SBB008487, ZINC03861155, FR-2164, Ethanone, 1-tricyclo[3.3.1.1(3,7)-]dec-1-yl-, Ethanone, 1-tricyclo(3.3.1.13,7)dec-1-yl-, Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone

Molecular Formula: C12H18OMolecular Weight: 178.270720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DACIGVIOAFXPHW-UHFFFAOYSA-N

• 1-Bromo-2-Chloroethane
IUPAC Name: 1-bromo-2-chloroethane | CAS Registry Number: 107-04-0
Synonyms: Ethylene chlorobromide, s-Chlorobromoethane, 2-Bromoethyl chloride, 2-Chloroethyl bromide, 1-Chloro-2-bromoethane, 2-Bromo-1-chloroethane, sym-Chlorobromoethane, Ethane, 1-bromo-2-chloro-, 1-BROMO-2-CHLOROETHANE, beta-Chloroethyl bromide, 1,2-Bromochloroethane, 1,2-Chlorobromoethane, Caswell No. 436B, Ethylene bromochloride, .beta.-Chloroethyl bromide, CCRIS 816, WLN: G2E, HSDB 6121, 232750_ALDRICH, 16621_FLUKA

Molecular Formula: C2H4BrClMolecular Weight: 143.410160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: IBYHHJPAARCAIE-UHFFFAOYSA-N

• 2-Amino-5-nitrobenzophenone
IUPAC Name: (2-amino-5-nitrophenyl)-phenylmethanone | CAS Registry Number: 1775-95-7
Synonyms: Oprea1_660099, 211737_ALDRICH, EINECS 217-207-9, ZINC03861498, (2-Amino-5-nitrophenyl)phenylmethanone, CID15681, BRN 0748830, SBB000821, METHANONE, (2-AMINO-5-NITROPHENYL)PHENYL-, (2-amino-5-nitrophenyl)(phenyl)methanone, LS-91113, ST5308434, 4-14-00-00246 (Beilstein Handbook Reference)

Molecular Formula: C13H10N2O3Molecular Weight: 242.230100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PZPZDEIASIKHPY-UHFFFAOYSA-N

• 3-Amino-5-methylisoxazole
IUPAC Name: 5-methyl-1,2-oxazol-3-amine | CAS Registry Number: 1072-67-9
Synonyms: 5-Methyl-3-isoxazolamine, 3-Isoxazolamine, 5-methyl-, 3-Methyl-5-aminoisoxazole, 5-Methyl-3-aminoisoxazole, Isoxazole, 3-amino-5-methyl-, 5-Methylisoxazol-3-ylamine, 5-methylisoxazol-3-amine, 232270_ALDRICH, EINECS 214-013-6, NSC159134, NSC 159134, 3-AMINO-5-METHYL ISOXAZOLE, CID66172, SBB005553, ZINC01610351, AI3-62721, Isoxazole, 3-amino-5-methyl- (8CI), SDCCGMLS-0066220.P001, LS-195291, InChI=1/C4H6N2O/c1-3-2-4(5)6-7-3/h2H,1H3,(H2,5,6

Molecular Formula: C4H6N2OMolecular Weight: 98.103240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FKPXGNGUVSHWQQ-UHFFFAOYSA-N

• 4-Aminophenylbutyric Acid
IUPAC Name: 4-(4-aminophenyl)butanoic acid | CAS Registry Number: 15118-60-2
Synonyms: 335339_ALDRICH, 4-(4-Aminophenyl)butyric acid, NSC27531, 4-(P-AMINOPHENYL)BUTYRIC ACID

Molecular Formula: C10H13NO2Molecular Weight: 179.215720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: RBHLFWNKEWLHBP-UHFFFAOYSA-N

• 4-Chlorocinnamic acid
IUPAC Name: (E)-3-(4-chlorophenyl)prop-2-enoic acid | CAS Registry Number: 1615-02-7
Synonyms: p-Chlorocinnamic acid, 4-CHLOROCINNAMIC ACID, Cinnamic acid, p-chloro-, (E)-p-Chlorocinnamic acid, trans-p-Chlorocinnamic acid, 3-(p-Chlorophenyl)acrylic acid, WLN: QV1U1R DG, CCRIS 3779, p-Chloro-trans-cinnamic acid, C31600_ALDRICH, CINNAMIC ACID,4-CHLORO, ARONIS014007, Cinnamic acid, p-chloro-, trans-, 3-(4-chlorophenyl)acrylic acid, NSC 1509, NSC 2756, EINECS 216-564-8, NSC1509, NSC2756, 2-Propenoic acid, 3-(4-chlorophenyl)-

Molecular Formula: C9H7ClO2Molecular Weight: 182.603680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GXLIFJYFGMHYDY-ZZXKWVIFSA-N

• 1,1-Bis(Methylthio)-2-Nitroethylene
IUPAC Name: 1,1-bis(methylsulfanyl)-2-nitroethene | CAS Registry Number: 13623-94-4
Synonyms: Nitroketene dimethyl mercaptal, 1,1-Bis(methylthio)-2-nitroethylene, 279706_ALDRICH, CID83623, EINECS 237-108-4, NSC241513, ZINC01763921, 1-Nitro-2,2-bis(methylthio)ethylene, BBV-181843, NSC 241513, Ethene, 1,1-bis(methylthio)-2-nitro-, I03-0090

Molecular Formula: C4H7NO2S2Molecular Weight: 165.233880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NXGHEDHQXXXTTP-UHFFFAOYSA-N

• 2-(A-Hydroxyethyl) Benzimidazole (CAS: 1908-24-7)
• 3-Chloro-1-(N,N-Dimethyl)propylamine
IUPAC Name: 3-chloro-N,N-dimethylpropan-1-amine | CAS Registry Number: 109-54-6
Synonyms: Dimethylaminopropyl chloride, 3-Chloropropyl(dimethyl)amine, 5407-04-5 (Hydrochloride), CHEBI:587789, MolPort-002-051-969, BB_SC-5456, CID66960, EINECS 203-679-3, STK802325, 3-Chloro-N,N-dimethyl-1-propanamine, 3-chloro-N,N-dimethylpropan-1-amine, N-(3-Chloropropyl)-N,N-dimethylamine, 3-Chloro-1-(N,N-dimethyl)propanamine, 1-Propanamine, 3-chloro-N,N-dimethyl-, LS-194314, TL80090565

Molecular Formula: C5H12ClNMolecular Weight: 121.608480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NYYRRBOMNHUCLB-UHFFFAOYSA-N

• 1,2,3,4-Butanetetracarboxylic Acid
IUPAC Name: butane-1,2,3,4-tetracarboxylic acid | CAS Registry Number: 1703-58-8
Synonyms: Butanetetracarboxylic acid, BTCA, 1,2,3,4-BUTANETETRACARBOXYLIC ACID, 257303_ALDRICH, EINECS 216-938-0, NSC 21371, CID15560, NSC21371, BRN 1729167, LS-929, butane-1,2,3,4-tetracarboxylic acid, NCGC00090718-01, NCGC00090718-02, Meso-1,2,3,4-butanetetracarboxylic acid, 1,2,3,4-BUTANETETRACARBOXYLICACID (8CI), 4-02-00-02419 (Beilstein Handbook Reference), 1,2,3,4-Butanetetracarboxylic acid (8CI) (9CI)

Molecular Formula: C8H10O8Molecular Weight: 234.160200 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: GGAUUQHSCNMCAU-UHFFFAOYSA-N

• 4-Aminotoluene (4-Toluidine)
IUPAC Name: 4-methylaniline | CAS Registry Number: 106-49-0
Synonyms: p-Toluidine, 4-Methylaniline, p-Aminotoluene, 4-Toluidine, p-Tolylamine, p-Methylaniline, p-Methylbenzenamine, 4-Methylbenzenamine, Benzenamine, 4-methyl-, Naphtol AS-KG, Tolylamine, Naphtol AS-KGLL, 4-AMINOTOLUENE, Toluidine, p-, Aniline, p-methyl-, p-Toluidin, 4-Aminotoluen, p-Toluidin [Czech], p-Toluidyna [Polish], 1-Amino-4-methylbenzene

Molecular Formula: C7H9NMolecular Weight: 107.153060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RZXMPPFPUUCRFN-UHFFFAOYSA-N

• 1,8-Diazabicyclo(5.4.0)undec-7-ene
IUPAC Name: 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine | CAS Registry Number: 6674-22-2
Synonyms: MLS000039793, 139009_ALDRICH, 33482_FLUKA, 1,5-Diazabicyclo[5.4.0]undec-5-ene, EINECS 229-713-7, 1,8-Diazabicyclo[5.4.0]undec-7-ene, NSC111184, NSC 111184, 1,5-Diazabicyclo(5.4.0)undec-5-ene, SMR000036948, ST5308548, Pyrimido[1,2-a]azepine, 2,3,4,6,7,8,9,10-octahydro-, 2,3,4,6,7,8,9,10-Octahydropyrimidol[1,2-a]azepine, 2,3,4,6,7,8,9,10-Octahydropyrimido(1,2-alpha)azepine, Pyrimido(1,2-a)azepine, 2,3,4,6,7,8,9,10-octahydro-, 2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-.alpha.]azepine, DBU, 31171-04-7, 41015-70-7, 51301-56-5

Molecular Formula: C9H16N2Molecular Weight: 152.236740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GQHTUMJGOHRCHB-UHFFFAOYSA-N

• 1-Hydroxybenzotriazole
IUPAC Name: 1-hydroxybenzotriazole | CAS Registry Number: 2592-95-2
Synonyms: Benzazimidol, Benzazimidol hydrate, 1H-Benzotriazole, 1-hydroxy-, N-Hydroxybenzotriazole hydrate, 1-Hydroxybenzotriazole hydrate, CCRIS 2605, MLS001006716, 1-Hydroxy-1H-benzotriazole hydrate, EINECS 219-989-7, 1-HYDROXY-1-H-BENZOTRIAZOLE, 1H-Benzotriazole, 1-hydroxy-, hydrate, BRN 0004515, ZINC00058261, LS-41548, SMR000349651, TL8002087, 4-26-00-00095 (Beilstein Handbook Reference), T0515-4929, 40150-21-8, 63307-62-0

Molecular Formula: C6H5N3OMolecular Weight: 135.123400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ASOKPJOREAFHNY-UHFFFAOYSA-N

• 2,3,4,5-Tetrafluoro Benzoic Acid
IUPAC Name: 2,3,4,5-tetrafluorobenzoic acid | CAS Registry Number: 1201-31-6
Synonyms: 2,3,4,5-Tetrafluorobenzoic acid, 326267_ALDRICH, JRD-0761, NSC168728, ST5307040

Molecular Formula: C7H2F4O2Molecular Weight: 194.083193 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: SFKRXQKJTIYUAG-UHFFFAOYSA-N

• 2,4,6-Triaminopyrimidine
IUPAC Name: pyrimidine-2,4,6-triamine | CAS Registry Number: 1004-38-2
Synonyms: Ambap161, 2,4,6-PYRIMIDINETRIAMINE, pyrimidine-2,4,6-triamine, Pyrimidine, 2,4,6-triamino-, T45802_ALDRICH, Pyrimidine-2,4,6-triyltriamine, AIDS023039, AIDS-023039, NSC26493, EINECS 213-720-7, NSC 26493, ZINC01511101, Pyrimidine, 2,4,6-triamino- (8CI), AI3-60016, TL8000051, TAP, InChI=1/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9, 3AY, 42911-01-3, 42911-03-5

Molecular Formula: C4H7N5Molecular Weight: 125.131880 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: JTTIOYHBNXDJOD-UHFFFAOYSA-N

• 2-Chloro-4-Nitroaniline
IUPAC Name: 2-chloro-4-nitroaniline | CAS Registry Number: 121-87-9
Synonyms: Ocpna, 2-Chloro-4-nitroaniline, o-Chloro-p-nitroaniline, 4-Nitro-2-chloroaniline, Aniline, 2-chloro-4-nitro-, 2-Chloro-4-nitrobenzenamine, Benzenamine, 2-chloro-4-nitro-, WLN: ZR BG DNW, ortho-Chloro-para-nitroaniline, CCRIS 2648, HSDB 5405, 101656_ALDRICH, 456853_ALDRICH, 1-AMINO-2-CHLORO-4-NITROBENZENE, NSC 3548, 25370_FLUKA, EINECS 204-502-2, CID8492, NSC3548, BRN 0638657

Molecular Formula: C6H5ClN2O2Molecular Weight: 172.569100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LOCWBQIWHWIRGN-UHFFFAOYSA-N

• 2-Cyano-3-Methylpyridine
IUPAC Name: 3-methylpyridine-2-carbonitrile | CAS Registry Number: 20970-75-6
Synonyms: 3-Methylpicolinonitrile, Ambap2278, 2-Cyano-3-methylpyridine, 512737_ALDRICH, 3-methyl-2-pyridinecarbonitrile, ZINC00335976, CID819928, C165, AN-584/42118739, InChI=1/C7H6N2/c1-6-3-2-4-9-7(6)5-8/h2-4H,1H

Molecular Formula: C7H6N2Molecular Weight: 118.135940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WBXZCDIZXWDPBL-UHFFFAOYSA-N

• 2-Methyl-5-Ethyl Pyridine
IUPAC Name: 5-ethyl-2-methylpyridine | CAS Registry Number: 104-90-5
Synonyms: Aldehydkollidin, Aldehydine, 5-Ethyl-2-methylpyridine, Aldehydecollidine, 5-Ethyl-2-picoline, 2-Picoline, 5-ethyl-, 2,5-Aldehydine, Pyridine, 5-ethyl-2-methyl-, 3-Ethyl-6-methylpyridine, 5-Ethyl-alpha-picoline, 6-Methyl-3-ethylpyridine, Methyl ethyl pyridine, Collidine, aldehydecollidine, MEP (VAN), 5-Ethyl-.alpha.-picoline, 2-METHYL-5-ETHYLPYRIDINE, FEMA No. 3546, HSDB 5137, W354600_ALDRICH, WLN: T6NJ B1 E2

Molecular Formula: C8H11NMolecular Weight: 121.179640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NTSLROIKFLNUIJ-UHFFFAOYSA-N

• 2-Naphthol
IUPAC Name: naphthalen-2-ol | CAS Registry Number: 135-19-3
Synonyms: beta-naphthol, 2-Naphthalenol, 2-NAPHTHOL, Betanaphthol, Isonaphthol, Developer sodium, Developer A, Developer BN, Naphthol B, Developer AMS, .beta.-Naphthol, beta-Napthol, 2-Hydroxynaphthalene, Azogen developer A, 2-Napththol, C.I. Developer 5, naphthalen-2-ol, beta-Hydroxynaphthalene, .beta.-Naftolo, .beta.-Naphtol

Molecular Formula: C10H8OMolecular Weight: 144.169920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: JWAZRIHNYRIHIV-UHFFFAOYSA-N

• 3-Methoxy Thiophenol
IUPAC Name: 3-methoxybenzenethiol | CAS Registry Number: 15570-12-4
Synonyms: 3-Methoxythiophenol, 3-Mercaptoanisole, 3-Methoxy thiophenol, 3-Methoxybenzenethiol, m-Methoxythiophenol, meta-Methoxybenzenethiol, Ambap7255, 155705_ALDRICH, EINECS 239-617-7, TL8006751, Y11037

Molecular Formula: C7H8OSMolecular Weight: 140.202820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QMVAZEHZOPDGHA-UHFFFAOYSA-N

• 4-Chlorophenylhydrazine hydrochloride
IUPAC Name: (4-chlorophenyl)hydrazine hydrochloride | CAS Registry Number: 1073-70-7
Synonyms: C65807_ALDRICH, 25980_FLUKA, p-Chlorophenylhydrazine hydrochloride, NSC59703, EINECS 214-030-9, BTB 07482, 4-Chlorophenylhydrazine monohydrochloride, p-Chlorophenylhydrazine monohydrochloride, C-5370, Hydrazine, (p-chlorophenyl)-, monohydrochloride, Hydrazine, (4-chlorophenyl)-, monohydrochloride, 1073-69-4

Molecular Formula: C6H8Cl2N2Molecular Weight: 179.047120 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: YQVZREHUWCCHHX-UHFFFAOYSA-N

• 4-Chlorobenzyl Cyanide
IUPAC Name: 2-(4-chlorophenyl)acetonitrile | CAS Registry Number: 140-53-4
Synonyms: 4-Chlorobenzyl cyanide, p-Chlorobenzyl cyanide, (4-Chlorophenyl)acetonitrile, 4-Chlorophenylacetonitrile, 4-Chlorobenzeneacetonitrile, Benzeneacetonitrile, 4-chloro-, p-Chlorophenylacetonitrile, Acetonitrile, (p-chlorophenyl)-, (p-Chlorophenyl)acetonitrile, 2-(4-Chlorophenyl)acetonitrile, C28006_ALDRICH, 4-Chlor-benzyl-cyanid [German], CCRIS 9100, CHEBI:17346, EINECS 205-418-9, NSC 49108, NSC49108, BRN 0971171, SBB004060, ZINC00157142

Molecular Formula: C8H6ClNMolecular Weight: 151.592940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IVYMIRMKXZAHRV-UHFFFAOYSA-N

• 5-Nitro Isophthalic Acid Mono Methyl Ester
IUPAC Name: 3-methoxycarbonyl-5-nitrobenzoic acid | CAS Registry Number: 1955-46-0
Synonyms: Mono-methyl 5-nitroisophthalate, 5-nitromonomethyl isophthalate, 237388_ALDRICH, AIDS019418, Methyl 5-nitrohydrogen.isophthalate, AIDS-019418, EINECS 217-793-6, 5-Nitroisophthalic acid, monomethyl ester, 5-Nitroisophthalic acid monomethyl ester, ST5307156, TL8001605, Monomethyl 5-nitrobenzene-1,3-dicarboxylate, Isophthalic acid, 5-nitro-, monomethyl ester, PB256786570, 1,3-Benzenedicarboxylic acid, 5-nitro-, monomethyl ester

Molecular Formula: C9H7NO6Molecular Weight: 225.154980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: ZCRNIIJXDRYWDU-UHFFFAOYSA-N

• 6-Chloro-2-Methyl Nitrobenzene
IUPAC Name: 1-chloro-2-methyl-4-nitrobenzene | CAS Registry Number: 13290-74-9
Synonyms: 2-Chloro-5-nitrotoluene, 3-Nitro-6-chlorotoluene, 2-Methyl-4-nitrochlorobenzene, 1-Chloro-2-methyl-4-nitrobenzene, 25625_FLUKA, ZINC02168543, Benzene, 1-chloro-2-methyl-4-nitro-, CID83315, EINECS 236-306-8, ST5408087

Molecular Formula: C7H6ClNO2Molecular Weight: 171.581040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BGDCQZFFNFXYQC-UHFFFAOYSA-N

• 7-Keto-DHEA
IUPAC Name: (3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol | CAS Registry Number: 1156-92-9
Synonyms: 4-Androstenediol, Androst-4-ene-3beta,17beta-diol, NSC12458, 3beta,17beta-Dihydroxy-4-androstene, CID136297, delta4-Androstene-3beta,17beta-diol, NSC 12458, DB01526, Androst-4-ene-3.beta.,17.beta.-diol, 3.beta.,17.beta.-Dihydroxy-4-androstene, Androst-4-ene-3beta,17beta-diol (8CI), .DELTA.4-Androstene-3.beta.,17.beta.-diol, C14210, Androst-4-ene-3,17-diol, (3.beta.,17.beta.)-, Androst-4-ene-3,17-diol, (3beta,17beta)- (9CI), (3S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol, TES

Molecular Formula: C19H30O2Molecular Weight: 290.440300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: BTTWKVFKBPAFDK-LOVVWNRFSA-N

• 4 -Amino-2-chloro-5-fluoropyrimidine
IUPAC Name: 2-chloro-5-fluoropyrimidin-4-amine | CAS Registry Number: 155-10-2
Synonyms: NCIOpen2_000951, A8406_SIGMA, NSC78716, 4-Amino-2-chloro-5-fluoropyrimidine, CID254372

Molecular Formula: C4H3ClFN3Molecular Weight: 147.538123 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: SLQAJWTZUXJPNY-UHFFFAOYSA-N

• 3-Aminopyrrolidine dihydrochloride
IUPAC Name: [(3R)-pyrrolidin-1-ium-3-yl]azanium | CAS Registry Number: 103831-11-4
Synonyms: ZINC04682891

Molecular Formula: C4H12N2+2Molecular Weight: 88.151480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: NGXSWUFDCSEIOO-SCSAIBSYSA-P

• 2,5-Dihydroxybenzaldehyde
IUPAC Name: 2,5-dihydroxybenzaldehyde | CAS Registry Number: 1194-98-5
Synonyms: Gentisaldehyde, Gentisate aldehyde, Ambap5842, Benzaldehyde, 2,5-dihydroxy-, 2,5-DHBAOP, NCIOpen2_000629, D108200_ALDRICH, CHEBI:28508, 2,5-Dihydroxybenzaldehyde polymer, AIDS220859, AIDS220866, AIDS-220859, AIDS-220866, CID70949, NSC72387, EINECS 214-789-6, NSC 72387, ZINC00895809, C05585, InChI=1/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10

Molecular Formula: C7H6O3Molecular Weight: 138.120740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CLFRCXCBWIQVRN-UHFFFAOYSA-N

• 1-Adamantanecarbonyl chloride
IUPAC Name: adamantane-1-carbonyl chloride | CAS Registry Number: 2094-72-6
Synonyms: Adamantoyl chloride, 1-Adamantoyl chloride, Adamantyl chloroformate, Ambap2128, Adamantane-1-carbonyl chloride, Adamantanecarbonyl chloride, 1-Adamantylcarbonyl chloride, 1-Adamantanoic acid chloride, 1-Adamantyl carbonyl chloride, 117722_ALDRICH, 1-Adamantanecarboxlic acid chloride, BB_SC-2576, 1-ADMANTANECARBONYL CHLORIDE, 1-Adamantanecarboxylic acid chloride, EINECS 218-252-7, NSC179368, NSC249324, ZINC01730095, 1-ADAMANTANE CARBONYL CHLORIDE, Adamantane-1-carboxylic acid chloride

Molecular Formula: C11H15ClOMolecular Weight: 198.689200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MIBQYWIOHFTKHD-UHFFFAOYSA-N

• 7-TMCA
IUPAC Name: 7-amino-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | CAS Registry Number: 24209-38-9
Synonyms: CID91136, EINECS 246-078-1, BAS 06290984, ST5303547, TL8001992, (6R-trans)-7-Amino-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-amino-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-, (6R-trans)-

Molecular Formula: C10H12N6O3S2Molecular Weight: 328.370680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: XUTQHTOXGKVJPN-UHFFFAOYSA-N

• 1-Bromo-3,5-dimethyladamantane
IUPAC Name: 1-bromo-3,5-dimethyladamantane | CAS Registry Number: 941-37-7
Synonyms: NCIOpen2_006758, 187844_ALDRICH, EINECS 213-378-9, NSC102293, ST5410687, 1-Bromo-3,5-dimethyltricyclo(3.3.1.13,7)decane, Tricyclo[3.3.1.1(3,7)-]decane, 1-bromo-3,5-dimethyl-

Molecular Formula: C12H19BrMolecular Weight: 243.183260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QUCXLVDIVQWYJR-UHFFFAOYSA-N

• 4-Methyl-1-Phenyl-3-pyrazolidone
IUPAC Name: 4-methyl-1-phenylpyrazolidin-3-one | CAS Registry Number: 2654-57-1
Synonyms: Phenidone B, ChemDiv3_006639, 3-Pyrazolidinone, 4-methyl-1-phenyl-, 1-Phenyl-4-methyl-3-pyrazolidone, Oprea1_430085, Oprea1_755749, MLS000689206, 1-Phenyl-4-methylpyrazolidone-3, NSC96628, 4-Methyl-1-phenyl-3-pyrazolidinone, ZERO/001086, 4-Methyl-1-phenyl-3-pyrazolidone, AIDS126035, AIDS-126035, 4-methyl-1-phenylpyrazolidin-3-one, EINECS 220-180-6, NSC 96628, IDI1_024549, BAS 00367184, SMR000283228

Molecular Formula: C10H12N2OMolecular Weight: 176.215080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZZEYCGJAYIHIAZ-UHFFFAOYSA-N

• 3-Iodopropynylbutylcarbamate
IUPAC Name: 3-iodoprop-2-ynyl N-butylcarbamate | CAS Registry Number: 55406-53-6
Synonyms: Woodlife, Ipbc, Troysan KK-108A, Caswell No. 501A, Iodopropynyl butylcarbamate, Troysan polyphase anti-mildew, 3-IPBC, HSDB 7314, 3-Iodo-2-propynyl butylcarbamate, 3-IODO-2-PROPYNYLBUTYLCARBAMATE, Butyl-3-iodo-2-propynylcarbamate, 521949_ALDRICH, 3-Iodo-2-propynyl butyl carbamate, EINECS 259-627-5, 3-iodo-2-propynyl-butylcarbamate, EPA Pesticide Chemical Code 107801, 3-Iodo-2-propynyl-N-butylcarbamate, BRN 2248232, 3-iodoprop-2-yn-1-yl butylcarbamate, Carbamic acid, butyl-, 3-iodo-2-propynyl ester

Molecular Formula: C8H12INO2Molecular Weight: 281.090850 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WYVVKGNFXHOCQV-UHFFFAOYSA-N

• 5-Chloro-2-adamantanone
IUPAC Name: 5-chloroadamantan-2-one | CAS Registry Number: 20098-17-3
Synonyms: Adamantan-4-one, 1-chloro, NSC339495

Molecular Formula: C10H13ClOMolecular Weight: 184.662620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JPEOUSFBWXVGFX-UHFFFAOYSA-N

• 2-Octyl-3-isothiazolone
IUPAC Name: 2-octyl-1,2-thiazol-3-one | CAS Registry Number: 26530-20-1
Synonyms: Octhilinone, Pancil, Micro-chek skane, Pancil-T, Kathon LM, Microbicide M-8, Micro-chek 11, Micro-chek 11D, Skane 8, Skane M8, Skane M-8, Kathon 893, Kathon 893F, Kathon SP 70, Kathon LP preservative, Caswell No. 613C, Kathon 4200, Vinylzene IT 3000DIDP, 2-Octyl-3(2H)-isothiazolone, 2-Octyl-4-isothiazolin-3-one

Molecular Formula: C11H19NOSMolecular Weight: 213.339660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JPMIIZHYYWMHDT-UHFFFAOYSA-N

• 4-Benzoylbiphenyl
IUPAC Name: phenyl-(4-phenylphenyl)methanone | CAS Registry Number: 2128-93-0
Synonyms: 4-Phenylbenzophenone, p-Benzoylbiphenyl, p-Phenylbenzophenone, Benzophenone, 4-phenyl-, Trigonal 12, Eusolex 3490, 4-Diphenyl phenyl ketone, 4-Diphenylphenyl ketone, p-Biphenylyl phenyl ketone, Phenyl p-biphenylyl ketone, 4-Biphenylyl phenyl ketone, Maybridge4_000539, NCIOpen2_001988, B12601_ALDRICH, EINECS 218-345-2, NSC 55283, NSC 97365, Methanone, [1,1'-biphenyl]-4-ylphenyl-, NSC55283, NSC97365

Molecular Formula: C19H14OMolecular Weight: 258.313860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LYXOWKPVTCPORE-UHFFFAOYSA-N

• 2 - cyclohexenone
IUPAC Name: cyclohex-2-en-1-one | CAS Registry Number: 930-68-7
Synonyms: 2-CYCLOHEXEN-1-ONE, 2-Cyclohexenone, Cyclohex-2-enone, Cyclohexenone, 3-Oxocyclohexene, Cyclohex-2-en-1-one, cyclohexen-3-one, Cyclohexen-1-one, Cyclohexen-2-one, 1-Cyclohexen-3-one, 2-Cyclohexenone-1, WLN: L6V BUTJ, MLS001065611, C102814_ALDRICH, 29255_FLUKA, 92509_FLUKA, CHEBI:15977, EINECS 213-223-5, CPD-282, NSC 59710

Molecular Formula: C6H8OMolecular Weight: 96.127120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FWFSEYBSWVRWGL-UHFFFAOYSA-N


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