3,4-Dichloro-2-nitro-6-(trifluoromethyl)toluene - CAS 115571-66-9
Catalog: |
BB003583 |
Product Name: |
3,4-Dichloro-2-nitro-6-(trifluoromethyl)toluene |
CAS: |
115571-66-9 |
Synonyms: |
1,2-dichloro-4-methyl-3-nitro-5-(trifluoromethyl)benzene; 1,2-dichloro-4-methyl-3-nitro-5-(trifluoromethyl)benzene |
IUPAC Name: | 1,2-dichloro-4-methyl-3-nitro-5-(trifluoromethyl)benzene |
Description: | A multisubstituted benzene derivative used in the preparation of biologically active compounds such as protein kinase inhibitors. |
Molecular Weight: | 274.02 |
Molecular Formula: | C8H4Cl2F3NO2 |
Canonical SMILES: | CC1=C(C(=C(C=C1C(F)(F)F)Cl)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C8H4Cl2F3NO2/c1-3-4(8(11,12)13)2-5(9)6(10)7(3)14(15)16/h2H,1H3 |
InChI Key: | IBRWCYHTODRXJR-UHFFFAOYSA-N |
Boiling Point: | 255.8 °C at 760 mmHg |
Density: | 1.566 g/cm3 |
Appearance: | Light yellow crystalline powder |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD04972788 |
LogP: | 4.75200 |
Publication Number | Title | Priority Date |
US-2014343001-A1 | Indole derivatives inhibitors of enzyme lactate dehydrogenase (ldh) | 20111220 |
WO-2013092753-A1 | Indole derivatives inhibitors of enzyme lactate dehydrogenase (ldh) | 20111220 |
JP-2011518166-A | Many of the hydrochloride salts of 5- (3- (ethylsulfonyl) phenyl) -3,8-dimethyl-N- (1-methylpiperidone-4-yl) -9H-pyrido [2,3-B] indole-7-carboxamide Shape and usage | 20080416 |
JP-2011518171-A | Polymorph of 5- (3- (ethylsulfonyl) phenyl) -3,8-dimethyl-N- (1-methylpiperidone-4-yl) -9H-pyrido [2,3-B] indole-7-carboxamide and its how to use | 20080416 |
US-2009270442-A1 | Polymorphs of hydrochloride salt of 5-(3-(ethylsulfonyl)phenyl)-3,8-dimethyl-n-(1-methylpiperidin-4-yl)-9h-pyrido[2,3-b]indole-7-carboxamide and methods of use therefor | 20080416 |
Complexity: | 281 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.9571182 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.9571182 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 45.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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