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Shanghai Fine Chemicals Co., Ltd

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Profile: Shanghai ChemVia Co. Ltd. manufactures chemicals for hair colors, photography, agrochemicals, electronics and pharmaceuticals industries. Our product line includes aniline, phenol, alkamine series, heterocyclic compounds and organic fluorine. We deal with alkylation, esterification, nitration, halogenation, diazoniation and sulfonation process.

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• 3,5-Bis(trifluoromethyl)benzylamine
IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methanamine | CAS Registry Number: 85068-29-7
Synonyms: 263389_ALDRICH, JRD-0285, EINECS 285-290-9, SBB000829, [3,5-Bis(trifluoromethyl)phenyl]methanamine, TL8005556

Molecular Formula: C9H7F6NMolecular Weight: 243.148999 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: DHVHORCFFOSRBP-UHFFFAOYSA-N

• 7-chloro-1h-indazole-3-carboxylic Acid
IUPAC Name: 7-chloro-2H-indazole-3-carboxylic acid | CAS Registry Number: 129295-32-5
Synonyms: 7-CHLORO-1H-INDAZOLE-3-CARBOXYLIC ACID, AG-D-59776, 7-Chloro-3(1H)-indazolecarboxylic acid, 1H-Indazole-3-carboxylicacid, 7-chloro-, PubChem7830, ACMC-209voh, SureCN7383241, CTK0H3854, ELLANOVALABS 23-0034, MolPort-003-984-049, ANW-45327, SBB065836, WTI-10670, AKOS006293709, 7-Chloro-1H-indazole-3-carboxylicacid, AB22141, RP25470, AK-23995, BR-23995, KB-46238

Molecular Formula: C8H5ClN2O2Molecular Weight: 196.590500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: HVKKAELOIRDAAI-UHFFFAOYSA-N

• 3-chloro-2-nitrotoluene
IUPAC Name: 1-chloro-3-methyl-2-nitrobenzene | CAS Registry Number: 5367-26-0
Synonyms: Ambap1308, 3-Chloro-2-nitrotoluene, EINECS 226-354-8, ZINC02529222, Benzene, 1-chloro-3-methyl-2-nitro-

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

InChIKey: JLDKNVUJLUGIBQ-UHFFFAOYSA-N

• 1-N-Boc-amino-cyclobutane carboxylic acid
IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate | CAS Registry Number: 120728-10-1
Synonyms: ZINC01433306, CID6988000

Molecular Formula: C10H16NO4-Molecular Weight: 214.238340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ROVVUKFHORPDSM-UHFFFAOYSA-M

• 4-Fluoropyridine
IUPAC Name: 4-fluoropyridine | CAS Registry Number: 694-52-0
Synonyms: 4-F-pyridine, Pyridine, 4-fluoro-, ZINC02525804, CID136504, TL8004868, InChI=1/C5H4FN/c6-5-1-3-7-4-2-5/h1-4

Molecular Formula: C5H4FNMolecular Weight: 97.090363 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: TTYVECQWCUJXCS-UHFFFAOYSA-N

• 3,5-Dimethoxybenzylalcohol
IUPAC Name: (3,5-dimethoxyphenyl)methanol | CAS Registry Number: 705-76-0
Synonyms: 3,5-Dimethoxybenzyl alcohol, (3,5-Dimethoxyphenyl)methanol, 191655_ALDRICH, Benzenemethanol, 3,5-dimethoxy-, EINECS 211-888-6, ZINC00388570, ST5406438, TL8004979, AE-641/30608011

Molecular Formula: C9H12O3Molecular Weight: 168.189780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AUDBREYGQOXIFT-UHFFFAOYSA-N

• 3- Methylphenylboronic Acid
IUPAC Name: (3-methylphenyl)boronic acid | CAS Registry Number: 17933-03-8
Synonyms: m-Tolylboronic acid, 3-Methylphenylboronic acid, Ambap1988, (3-Methylphenyl)boronic acid, 393614_ALDRICH, BM044, ALBB-006091, LS-45154, TL8001432

Molecular Formula: C7H9BO2Molecular Weight: 135.956160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: BJQCPCFFYBKRLM-UHFFFAOYSA-N

• 5-bromo-2-chlorobenzoic acid
IUPAC Name: 5-bromo-2-chlorobenzoic acid | CAS Registry Number: 21739-92-4
Synonyms: 5-Bromo-2-chlorobenzoic acid, 175544_ALDRICH, Benzoic acid, 5-bromo-2-chloro-, EINECS 244-558-5, TL806385, ST5308565, InChI=1/C7H4BrClO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11

Molecular Formula: C7H4BrClO2Molecular Weight: 235.462460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FGERXQWKKIVFQG-UHFFFAOYSA-N

• 3-Hydroxy-2-methylpyridine
IUPAC Name: 2-methylpyridin-3-ol | CAS Registry Number: 1121-25-1
Synonyms: 2-Methyl-3-pyridinol, 2-Methyl-3-hydroxypyridine, 3-Pyridinol, 2-methyl-, 2-Methylpyridin-3-ol, 3-Hydroxy-2-picoline, 268534_ALDRICH, NSC27506, EINECS 214-327-3, BTB 09012, ZINC00153239, H156, AQ-344/40575762

Molecular Formula: C6H7NOMolecular Weight: 109.125880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AQSRRZGQRFFFGS-UHFFFAOYSA-N

• 3-Chloro-2,4-difluorobenzoic acid
IUPAC Name: 3-chloro-2,4-difluorobenzoic acid | CAS Registry Number: 154257-75-7
Synonyms: JRD-1072, ST5407426

Molecular Formula: C7H3ClF2O2Molecular Weight: 192.547326 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: YGYZTZAEZMCPSC-UHFFFAOYSA-N

• 2-Butene-1,4-diylbutyrate
IUPAC Name: 4-butanoyloxybut-2-enyl butanoate | CAS Registry Number: 1572-84-5
Synonyms: 1,4-Bis(butyryloxy)-2-butene, CIS-1,4-DIBUTYRYLOXY-2-BUTENE, 144967-77-1, ACMC-20ap32, CTK8C6206, 4-butanoyloxybut-2-enyl butanoate, butanoic acid 4-(1-oxobutoxy)but-2-enyl ester, A808303

Molecular Formula: C12H20O4Molecular Weight: 228.284800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OGJKSGMVEHGEKF-UHFFFAOYSA-N

• 1-(Mercaptomethyl)cyclopropyl acetic acid
IUPAC Name: 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid | CAS Registry Number: 162515-68-6
Synonyms: 2-[1-(Mercaptomethyl)cyclopropyl]acetic acid, 1-(Mercaptomethyl)cyclopropaneacetic Acid, SBB053445, AG-E-12320, 1-(Mercaptomethyl)cyclopropaneaceticacid, 1-(Mercaptomethyl)-Cyclopropaneacetic Acid, 2-(1-(mercaptomethyl)cyclopropyl)acetic acid, 2-[(sulfanylmethyl)cyclopropyl]acetic acid, ACMC-209doh, UNII-1X00T93WYX, KSC174S2B, Jsp003256, CTK0H4920, MolPort-001-767-786, AMX10105, ANW-21999, AKOS006379354, AM84551, MCULE-2805511819, 1-(Mercaptomethyl)cyclopropylacetic acid

Molecular Formula: C6H10O2SMolecular Weight: 146.207400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VFAXPOVKNPTBTM-UHFFFAOYSA-N

• 2-Chloro-5-Nitroaniline
IUPAC Name: 2-chloro-5-nitroaniline | CAS Registry Number: 6283-25-6
Synonyms: 6-Chloro-3-nitroaniline, Aniline, 2-chloro-5-nitro-, Benzenamine, 2-chloro-5-nitro-, 2-CHLORO-5-NITROANILINE, 2-Chloro-5-nitrobenzenamine, WLN: ZR BG ENW, Aniline, 6-chloro-3-nitro-, C58150_ALDRICH, HSDB 6086, NSC7791, NSC 7791, EINECS 228-498-7, 2-Amino-1-chloro-4-nitrobenzene, CID22691, BRN 2208878, SBB003829, ZINC01688375, LS-19666, 3-12-00-01661 (Beilstein Handbook Reference), InChI=1/C6H5ClN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H

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

InChIKey: KWIXNFOTNVKIGM-UHFFFAOYSA-N

• 5-Aminoindan
IUPAC Name: 2,3-dihydro-1H-inden-5-amine | CAS Registry Number: 24425-40-9
Synonyms: 5-Aminohydrindene, 5-Indanamine, Indan-5-amine, 130877_ALDRICH, ZINC02140945, CID90496, EINECS 246-241-7

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

InChIKey: LEWZOBYWGWKNCK-UHFFFAOYSA-N

• 4-Chloro-3-methoxyaniline
IUPAC Name: 4-chloro-3-methoxyaniline | CAS Registry Number: 13726-14-2
Synonyms: 3-Methoxy-4-chloroaniline, 4-Chloro-3-methoxyphenylamine, 4-Chloro-m-anisidine, 2-Chloro-5-aminoanisole, 5-Amino-2-chloroanisole, SBB070068, PubChem3659, ACMC-1CHUA, AGN-PC-00KWMX, SureCN110433, 4-Chloro-3-Methoxy aniline, KSC494G8H, 4-chloro-3-methoxybenzenamine, Jsp002246, CTK3J4383, MolPort-001-759-840, Benzenamine, 4-chloro-3-methoxy-, ACN-S003788, ACT08113, ANW-20221

Molecular Formula: C7H8ClNOMolecular Weight: 157.597520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LNKBDFVSILQKSI-UHFFFAOYSA-N

• 2-Chlorobenzoxazole
IUPAC Name: 2-chloro-1,3-benzoxazole | CAS Registry Number: 615-18-9
Synonyms: BENZOXAZOLE, 2-CHLORO-, NSC8439, 274089_ALDRICH, WLN: T56 BN DOJ CG, NSC 8439, EINECS 210-414-5, CID11986, BRN 0115982, ZINC00404788, LS-42157, ST5209073, 2-27-00-00017 (Beilstein Handbook Reference), InChI=1/C7H4ClNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4

Molecular Formula: C7H4ClNOMolecular Weight: 153.565760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BBVQDWDBTWSGHQ-UHFFFAOYSA-N

• 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
IUPAC Name: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine | CAS Registry Number: 486460-21-3
Synonyms: 3-(TRIFLUOROMETHYL)-5,6,7,8-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINE, 1,2,4-Triazolo[4,3-a]pyrazine, 5,6,7,8-tetrahydro-3-(trifluoromethyl)-, 3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]piperazine, 3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine, 3-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine, 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazinehydrochloride, SureCN212149, AGN-PC-0CZ0E6, TRI035, ACN-P001047, ANW-30684, BBL011819, PC1232, SBB091386, STL163404, AKOS005063762, AG-F-64543, MCULE-6021337861, PB17546, RP03831

Molecular Formula: C6H7F3N4Molecular Weight: 192.141790 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: FMTDZGCPYKWMPT-UHFFFAOYSA-N

• 3-Bromo-2-methylpropene
IUPAC Name: 3-bromo-2-methylprop-1-ene | CAS Registry Number: 1458-98-6
Synonyms: 3-bromo-2-methylprop-1-ene, Methylallyl bromide, 3-Bromo-2-methyl-1-propene, SBB054749, AG-D-89977, Methallyl bromide, NSC617310, 2-Methylallyl Bromide, ACMC-209cvw, AC1L7B7T, AC1Q1J4V, 2-Methyl-2-propenyl Bromide, KSC174E5L, 345830_ALDRICH, CTK0H4255, MolPort-001-792-461, ACN-S004472, ACT08856, ANW-20970, GEO-02548

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

InChIKey: USEGQJLHQSTGHW-UHFFFAOYSA-N

• 6-Methoxyoxindole
IUPAC Name: 6-methoxy-1,3-dihydroindol-2-one | CAS Registry Number: 7699-19-6
Synonyms: ZINC02561344, CID2793749, SL-00200, M-3545

Molecular Formula: C9H9NO2Molecular Weight: 163.173260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OXOQGUGIJKUSRP-UHFFFAOYSA-N

• 5-bromo-2-chlorophenol
IUPAC Name: 5-bromo-2-chlorophenol | CAS Registry Number: 183802-98-4
Synonyms: 2-Chloro-5-Bromophenol, AO-801/41077424, ZINC00336744, PubChem1476, AC1LGFEU, ACMC-1BXBV, 5-bromo-2-chloro phenol, SureCN55613, KSC174K5H, Jsp003773, CTK0H4553, MolPort-001-757-135, ACT00660, ANW-23175, SBB093919, AKOS005255414, AC-4797, AG-E-33452, AS00161, LS10495

Molecular Formula: C6H4BrClOMolecular Weight: 207.452360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: UEVFFMZHGNYDKM-UHFFFAOYSA-N

• 5-Hydroxy-2-nitrobenzoic acid
IUPAC Name: 5-hydroxy-2-nitrobenzoic acid | CAS Registry Number: 610-37-7
Synonyms: 3-Carboxy-4-nitrophenol, BRN 2107504, BENZOIC ACID, 5-HYDROXY-2-NITRO-, CID11882, LS-37644, RH 00465, 4-10-00-00338 (Beilstein Handbook Reference), AO-801/41077445

Molecular Formula: C7H5NO5Molecular Weight: 183.118300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: BUHKQTKKZAXSMH-UHFFFAOYSA-N

• 2-Amino-4-Chloro-5-Nitrophenol
IUPAC Name: 2-amino-4-chloro-5-nitrophenol | CAS Registry Number: 6358-07-2
Synonyms: 2-Amino-4-chloro-5-nitrophenol, CCRIS 4577, Phenol, 2-amino-4-chloro-5-nitro-, NSC7537, 246417_ALDRICH, NSC 7537, EINECS 228-760-0, BRN 3268343, SBB000270, CID3894848, LS-1528, NCGC00091280-01, Y28029, 2-13-00-00196 (Beilstein Handbook Reference), InChI=1/C6H5ClN2O3/c7-3-1-4(8)6(10)2-5(3)9(11)12/h1-2,10H,8H

Molecular Formula: C6H5ClN2O3Molecular Weight: 188.568500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ZARYBZGMUVAJMK-UHFFFAOYSA-N

• 2-Methyl-2-Propanethiol
IUPAC Name: 2-methylpropane-2-thiol | CAS Registry Number: 75-66-1
Synonyms: tert-Butanethiol, tert-Butylthiol, t-Butylmercaptan, 2-Isobutanethiol, tert-Butyl mercaptan, tert-Butylmercaptan, 2-Propanethiol, 2-methyl-, 2-Methyl-2-propanethiol, 2-Methylpropane-2-thiol, tertiary-Butyl mercaptan, 1,1-Dimethylethanethiol, T-BUTYL MERCAPTAN, HSDB 1611, 109207_ALDRICH, 20230_FLUKA, EINECS 200-890-2, CID6387, BRN 0505947, NSC229569, ZINC04706566

Molecular Formula: C4H10SMolecular Weight: 90.187200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: WMXCDAVJEZZYLT-UHFFFAOYSA-N

• 1,2,4 Triazole
IUPAC Name: 1H-1,2,4-triazole | CAS Registry Number: 288-88-0
Synonyms: s-Triazole, 1H-1,2,4-Triazole, 1,2,4-TRIAZOLE, 4H-1,2,4-triazole, 1H-1.2.4-Triazole, MET1075A_SUPELCO, T46108_ALDRICH, 4H-1,2,4-Triazole (VAN), C2H3N3, CHEBI:35550, CHEBI:46077, EINECS 206-022-9, NSC 83128, AIDS023082, AIDS-023082, NSC83128, ZINC04897205, AI3-51031, DB03594, LS-155746

Molecular Formula: C2H3N3Molecular Weight: 69.065320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NSPMIYGKQJPBQR-UHFFFAOYSA-N

• 2,5-Dimethoxytetrahydrofuran
IUPAC Name: (2R,5R)-2,5-dimethoxyoxolane | CAS Registry Number: 696-59-3
Synonyms: Tetrahydro-2,5-dimethoxyfuran, Furan, tetrahydro-2,5-dimethoxy-, ZINC00388577, FURAN,TETRAHYDRO,2,5-DIMETHOXY, InChI=1/C6H12O3/c1-7-5-3-4-6(8-2)9-5/h5-6H,3-4H2,1-2H

Molecular Formula: C6H12O3Molecular Weight: 132.157680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GFISDBXSWQMOND-PHDIDXHHSA-N

• 2,3,4-Trimethoxybenzaldehyde
IUPAC Name: 2,3,4-trimethoxybenzaldehyde | CAS Registry Number: 2103-57-3
Synonyms: Trimethoxybenzaldehyde, Benzaldehyde, 2,3,4-trimethoxy-, 152099_ALDRICH, EINECS 218-271-0, EINECS 258-950-9, ZINC01841426, AI3-36670, ST5213362, TL8001739, InChI=1/C10H12O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-6H,1-3H, 54061-90-4

Molecular Formula: C10H12O4Molecular Weight: 196.199880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: UCTUXUGXIFRVGX-UHFFFAOYSA-N

• 2,6-Xylidine
IUPAC Name: 2,6-dimethylaniline | CAS Registry Number: 87-62-7
Synonyms: 2,6-Dimethylaniline, o-Xylidine, 2,6-XYLIDINE, 2-Amino-m-xylene, Xylylamine, 2,6-Xylylamine, o-Xylidine (VAN), Benzenamine, 2,6-dimethyl-, 2-Amino-1,3-xylene, 2,6-Dimethylbenzenamine, Aniline, 2,6-dimethyl-, 2,6-Dimethylphenylamine, 2-Amino-1,3-dimethylbenzene, 1-Amino-2,6-dimethylbenzene, 2,6-xylidine hydrochloride, CCRIS 2373, 2,6-xylidine, 3H-labeled, NCI-C56188, HSDB 2094, D146005_ALDRICH

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

InChIKey: UFFBMTHBGFGIHF-UHFFFAOYSA-N

• 2-(1,3-benzothiazol-2-ylthio)succinic acid
IUPAC Name: (2R)-2-[(2R)-2-sulfanyl-2,3-dihydro-1,3-benzothiazol-5-yl]butanedioic acid | CAS Registry Number: 95154-01-1
Synonyms: Butanedioic acid, (2-benzothiazolylthio)-, CID5748819, 651032-78-9

Molecular Formula: C11H11NO4S2Molecular Weight: 285.339340 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: MHUCVGGKWUSZIF-KSBSHMNSSA-N

• 2-(4-chlorobenzyl)-1H- benzimidazole
IUPAC Name: 2-[(4-chlorophenyl)methyl]-1H-benzimidazole | CAS Registry Number: 5468-66-6
Synonyms: NSC15003, ZINC01655454, ST5406030

Molecular Formula: C14H11ClN2Molecular Weight: 242.703540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: COGUOPIIFAMLES-UHFFFAOYSA-N

• (1S,2R)-(-)-1Amino-2-indanol
IUPAC Name: [(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]azanium | CAS Registry Number: 126456-43-7
Synonyms: ZINC00154811, ZINC00154815, CID10942615

Molecular Formula: C9H12NO+Molecular Weight: 150.197680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: LOPKSXMQWBYUOI-BDAKNGLRSA-O

• 2,4,6-Trifluoro-1,3,5-Triazine
IUPAC Name: 2,4,6-trifluoro-1,3,5-triazine | CAS Registry Number: 675-14-9
Synonyms: Trifluorotriazine, Cyanuric trifluoride, Trifluoro-s-triazine, CYANURIC FLUORIDE, s-Triazine, 2,4,6-trifluoro-, 2,4,6-Trifluoro-s-triazine, 2,4,6-Trifluoro-1,3,5-triazine, 2,4,6-Trifluoro-sym-triazine, 1,3,5-Triazine, 2,4,6-trifluoro-, s-Triazine, 2,4,6-trifluro-, HSDB 6406, 28625_FLUKA, EINECS 211-620-8, NSC 168386, WLN: T6N CN ENJ BF DF FF, BRN 0124237, NSC168386, ZINC01669280, SL-00569, LS-155578

Molecular Formula: C3F3N3Molecular Weight: 135.047410 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: VMKJWLXVLHBJNK-UHFFFAOYSA-N

• 3-Trifluoromethyl Cinnamic Acid
IUPAC Name: (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate | CAS Registry Number: 779-89-5
Synonyms: ZINC00119696, CID6927016

Molecular Formula: C10H6F3O2-Molecular Weight: 215.148650 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: KSBWHDDGWSYETA-SNAWJCMRSA-M

• 3,4-Dihydroxy Benzophenone
IUPAC Name: (3,4-dihydroxyphenyl)-phenylmethanone | CAS Registry Number: 10425-11-3
Synonyms: 3,4-Dihydroxybenzophenone, CBMicro_021400, Oprea1_477578, 579815_ALDRICH, (3,4-Dihydroxyphenyl)phenylmethanone, ZINC00262158, (3,4-dihydroxyphenyl)(phenyl)methanone, Methanone, (3,4-dihydroxyphenyl)phenyl-, BIM-0021437.P001, ST5307863, TL8000179

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

InChIKey: ARWCZKJISXFBGI-UHFFFAOYSA-N

• 2,6-Difluorobenzaldehyde
IUPAC Name: 2,6-difluorobenzaldehyde | CAS Registry Number: 437-81-0
Synonyms: 265152_ALDRICH, JRD-0120, SBB006685, ZINC02539337, TL806242

Molecular Formula: C7H4F2OMolecular Weight: 142.102866 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SOWRUJSGHKNOKN-UHFFFAOYSA-N

• 2-Chloro-4-NitroBenzoic Acid
IUPAC Name: 2-chloro-4-nitrobenzoic acid | CAS Registry Number: 99-60-5
Synonyms: 2-CHLORO-4-NITROBENZOIC ACID, WLN: WNR CG DVQ, Benzoic acid, 2-chloro-4-nitro-, NSC150, C59602_ALDRICH, NSC 150, 25410_FLUKA, EINECS 202-771-0, AIDS019397, Kyselina 2-chloro-4-nitrobenzoova, AIDS-019397, BRN 1912836, SBB000403, AI3-33426, Kyselina 2-chloro-4-nitrobenzoova [Czech], LS-36571, TL80073611, 4-09-00-01229 (Beilstein Handbook Reference), InChI=1/C7H4ClNO4/c8-6-3-4(9(12)13)1-2-5(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: QAYNSPOKTRVZRC-UHFFFAOYSA-N

• 3-Nitro-4-Amino Phenol
IUPAC Name: 4-amino-3-nitrophenol | CAS Registry Number: 610-81-1
Synonyms: 3-Nitro-4-aminophenol, 4-Amino-3-nitrophenol, 4-Hydroxy-2-nitroaniline, Phenol, 4-amino-3-nitro, Phenol, 4-amino-3-nitro-, 249319_ALDRICH, 08935_FLUKA, NSC400380, EINECS 210-236-8, ZINC04262549, CID3758882, NSC 400380, TL8003868

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

InChIKey: IQXUIDYRTHQTET-UHFFFAOYSA-N

• 3,5-Di(trifluoromethyl) Benzonitrile
IUPAC Name: 3,5-bis(trifluoromethyl)benzonitrile | CAS Registry Number: 27126-93-8
Synonyms: NCIOpen2_005426, 3,5-Bis(trifluoromethyl)benzonitrile, 3,5-di(Trifluoromethyl)benzonitrile, CID96746, NSC88316, EINECS 248-240-7, ZINC00155235, ST5307057, TL8002188, D1144

Molecular Formula: C9H3F6NMolecular Weight: 239.117239 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: CZKHHAOIHXHOSR-UHFFFAOYSA-N

• (1H)-7-(4'-Bromobutoxy)-3,4-dihydro-2-quinolinone
IUPAC Name: 7-(4-bromobutoxy)-3,4-dihydro-1H-quinolin-2-one | CAS Registry Number: 129722-34-5
Synonyms: 7-(4-Bromobutoxy)-3,4-dihydro-2(1H)-quinolinone, 3,4-Dihydro-7-(4-bromobutoxy)-2(1H)-quinolinone, 7-(4-bromobutoxy)-3,4-dihydro-1H-quinolin-2-one, 7-(4-Bromo-butoxy)-3,4-dihydro-1H-quinolin-2-one, 2(1H)-Quinolinone, 7-(4-bromobutoxy)-3,4-dihydro-, AG-D-60351, 7-(4-bromobutoxy)-3,4-dihydroquinolin-2(1H)-one, PubChem6002, SureCN8513, AGN-PC-0CTILM, ACMC-209bh8, QUI081, Jsp001809, CTK4B6379, MolPort-003-845-324, BB_SC-4613, ANW-19146, BBL011057, STK802231, ZINC15919788

Molecular Formula: C13H16BrNO2Molecular Weight: 298.175640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: URHLNHVYMNBPEO-UHFFFAOYSA-N

• 2-(Trifluoromethoxy)nitrobenzene
IUPAC Name: 1-nitro-2-(trifluoromethoxy)benzene | CAS Registry Number: 1644-88-8
Synonyms: 2-(trifluoromethoxy)nitrobenzene, 1-nitro-2-(trifluoromethoxy)benzene, O-nitrotrifluoromethoxybenzene, 2-Nitrophenyl trifluoromethyl ether, SBB063444, Benzene, 1-nitro-2-(trifluoromethoxy)-, PubChem4623, SureCN6112961, ACMC-1C0S3, KSC497G9H, CTK3J7393, MolPort-001-772-755, ACT12670, ANW-22103, ZINC16158139, AKOS005145715, AG-E-14271, AS01591, PF10309, RP26297

Molecular Formula: C7H4F3NO3Molecular Weight: 207.106770 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: YTWBYJAWWKTPOV-UHFFFAOYSA-N

• 2-Methyl-5-nitro-6-chlorophenol
IUPAC Name: 2-chloro-6-methyl-3-nitrophenol | CAS Registry Number: 39183-20-5
Synonyms: 2-Methyl-5-Nitro-6-Chlorophenol, 2-chloro-6-methyl-3-nitrophenol, 6-chloro-5-nitro-o-cresol, SBB064092, SureCN10485141, KSC496C9T, Jsp006809, CTK3J6199, MolPort-001-770-152, 2-Chloro-6-methyl-3-nitro-phenol, 2-Chloro-6-methyl-3-nitrophenol;, AC-617, ANW-51651, FC0820, ZINC02580756, 2-chloranyl-6-methyl-3-nitro-phenol, AKOS006346028, AB14699, AG-F-38313, RP24752

Molecular Formula: C7H6ClNO3Molecular Weight: 187.580440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FYPOFAFXSGYVLK-UHFFFAOYSA-N

• 1,5-Dihydropyrrolo[3,2-a]pyrimidine-2,4-dion
IUPAC Name: 1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione | CAS Registry Number: 65996-50-1
Synonyms: 1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,5H)-dione, 1,5-Dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione, 1,5-Dihydropyrrolo[3,2-a]pyrimidine-2,4-dione, PubChem15838, AC1LC0AD, Pyrolo[3,2-d]pyrimidin-2,4(1H,3H)-dione, SureCN1460186, SureCN3259988, SureCN4840039, KSC352O9B, CTK2F2790, MolPort-009-197-378, ACN-P000747, WTI-11109, AKOS006284714, AKOS015854489, AG-L-25448, 5H-Pyrrolo[3,2-d]pyrimidine-2,4-diol, AK-28176, BR-28176

Molecular Formula: C6H5N3O2Molecular Weight: 151.122800 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: BSRITDQWGPSXPQ-UHFFFAOYSA-N

• 3-chloro-5-methyl-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
IUPAC Name: 3-chloro-5-methyl-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid | CAS Registry Number: 6387-17-3
Synonyms: EINECS 228-991-7, CID80804, 5-Chloro-6-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)toluene-3-sulphonic acid

Molecular Formula: C11H11ClN2O4SMolecular Weight: 302.734040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: QENFKLWBWWDGLL-UHFFFAOYSA-N

• 6-Fluoro-2-methylindanone
IUPAC Name: 6-fluoro-2-methyl-2,3-dihydroinden-1-one | CAS Registry Number: 37794-19-7
Synonyms: 6-Fluoro-2-methyl-1-indanone, 6-fluoro-2-methylindan-1-one, 6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-one, 2-methyl-6-fluoro-1-indanone, 6-fluoro-2-methyl-2,3-dihydroinden-1-one, AG-F-33005, 6-fluoro-2,3-dihydro-2-methylinden-1-one, 1H-Inden-1-one, 6-fluoro-2,3-dihydro-2-methyl-, PubChem9661, SureCN2585275, CHEMBL155499, AGN-PC-009A33, 6-Fluoro-2-methyl-indan-1-one, CTK4H8824, CHEBI:357374, MolPort-003-986-804, AM950, ANW-74810, FC0665, SBB067038

Molecular Formula: C10H9FOMolecular Weight: 164.176263 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BABIQLUCYVRCIX-UHFFFAOYSA-N

• (3R)-3-Morpholinecarboxylic Acid
IUPAC Name: (3R)-morpholine-3-carboxylic acid hydrochloride | CAS Registry Number: 106825-81-4
Synonyms: AmbTiM24801, MolPort-000-004-592, (R)-3-Morpholinecarboxylic acid HCl, M24801

Molecular Formula: C5H10ClNO3Molecular Weight: 167.590800 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: CWSLARZELUGARZ-PGMHMLKASA-N

• 2,5-Dibromobenzoic Acid
IUPAC Name: 2,5-dibromobenzoic acid | CAS Registry Number: 610-71-9
Synonyms: 2,5-Dibromobenzoic acid, BENZOIC ACID, 2,5-DIBROMO-, 516759_ALDRICH, EINECS 210-234-7, NSC190697, NSC 190697, CID11891, BRN 1868193, LS-36757, ST5408571, TL8003864, 4-09-00-01027 (Beilstein Handbook Reference)

Molecular Formula: C7H4Br2O2Molecular Weight: 279.913460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SQQKOTVDGCJJKI-UHFFFAOYSA-N

• 5-Chlorooxindole
IUPAC Name: 5-chloro-1,3-dihydroindol-2-one | CAS Registry Number: 17630-75-0
Synonyms: 127485_ALDRICH, ALBB-006976, 5-Chloro-1,3-dihydro-2H-indol-2-one, 5-Chloro-1,3-dihydro-indol-2-one, SBB003879, ZINC00161358, Indol-2-one, 5-chloro-1,3-dihydro-, 7-Chloro-1,3-dihydro-2H-indol-2-one, 2H-Indol-2-one, 7-chloro-1,3-dihydro-, TL8001400, C-5240, SR-01000637295-1, 25369-33-9, InChI=1/C8H6ClNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11

Molecular Formula: C8H6ClNOMolecular Weight: 167.592340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WWJLCYHYLZZXBE-UHFFFAOYSA-N

• 2-Chloro-4,5-Difluorobenzoic Acid
IUPAC Name: 2-chloro-4,5-difluorobenzoate | CAS Registry Number: 110877-64-0
Synonyms: ZINC00164784, CID6933326

Molecular Formula: C7H2ClF2O2-Molecular Weight: 191.539386 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: CGFMLBSNHNWJAW-UHFFFAOYSA-M

• 2-Chloro-5-Methyl Pyridine
IUPAC Name: 2-chloro-5-methylpyridine | CAS Registry Number: 18368-64-4
Synonyms: 2-Chloro-5-methylpyridine, 3-Picoline, 6-chloro-, 495328_ALDRICH, Pyridine, 2-chloro-5-methyl-, ZINC00152326, CID581393, AC 34403, C185, LS-131090, TL8001482, InChI=1/C6H6ClN/c1-5-2-3-6(7)8-4-5/h2-4H,1H

Molecular Formula: C6H6ClNMolecular Weight: 127.571540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VXLYOURCUVQYLN-UHFFFAOYSA-N

• 3-Bromo-5-fluoroanisole
IUPAC Name: 1-bromo-3-fluoro-5-methoxybenzene | CAS Registry Number: 29578-39-0
Synonyms: 1-Bromo-3-fluoro-5-methoxybenzene, 3-Fluoro-5-bromoanisole, 3-Bromo-5-fluoro-1-methoxybenzene, 5-BROMO-3-FLUOROANISOLE, PubChem4128, ACMC-209h9u, SureCN505277, KSC201Q6J, CTK1A1864, MolPort-001-772-762, ACN-S004479, ACT11632, ANW-26656, CL8603, SBB093397, ZINC14628931, AKOS005259680, AC-3760, AG-C-31588, AS01365

Molecular Formula: C7H6BrFOMolecular Weight: 205.024343 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XVNQVSGOIUYOPB-UHFFFAOYSA-N

• 4-Fluoro-2-nitroaniline
IUPAC Name: 4-fluoro-2-nitroaniline | CAS Registry Number: 364-78-3
Synonyms: Benzenamine, 4-fluoro-2-nitro-, 4-Fluoro-2-nitrophenylamine, 162558_ALDRICH, NSC402980, CID67769, EINECS 206-666-0, SBB016897, ZINC04261952, TL8002692

Molecular Formula: C6H5FN2O2Molecular Weight: 156.114503 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PUGDHSSOXPHLPT-UHFFFAOYSA-N


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