4-BROMO-2-NITRO-1-(TRIFLUOROMETHYL)BENZENE
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4-BROMO-2-NITRO-1-(TRIFLUOROMETHYL)BENZENE
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CAS No:
251115-21-6
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Formula:
C7H3BrF3NO2
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Chemical Name:
4-BROMO-2-NITRO-1-(TRIFLUOROMETHYL)BENZENE
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Synonyms:
4-Bromo-2-nitro-1-(trifluoromethyl)benzene;4-Bromo-2-nitrobenzotrifluoride;Benzene, 4-bromo-2-nitro-1-(trifluoromethyl)-;5-BROMO-2-TRIFLUOROMETHYLNITROBENZENE;KSC495G1R;SCHEMBL3711353;CTK3J5318;KS-00000HPZ;2-Nitro-4-bromo-benzotrifluoride;DTXSID00593200
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CAS No:
4-BROMO-2-NITRO-1-(TRIFLUOROMETHYL)BENZENE Basic Attributes
270.01
268.929932
DTXSID00593200
2904909090
4-BROMO-2-NITRO-1-(TRIFLUOROMETHYL)BENZENE Use and Manufacturing
To a solution of 1, 4-dibromo-2-nitrobenzene (5 g, 17.8mmol) in N- methylpyrrolidinone (4OmL) were added methyl difluoro(fluorosulfonyl)acetate (4.5mL, 35.6mmol) and copper(l) iodide. The mixture was heated at 80 b) 4-Bromo-2-nitro-1 -(trif luoromethyl)benzeneTo a solution of 1 , 4-dibromo-2-nitrobenzene (5 g, 17.8 mmol) in N- methylpyrrolidinone (40 mL) were added methyl difluoro(fluorosulfonyl)acetate (4.5 mL, 35.6 mmol) and copper(l) iodide. The mixture was heated at 80 PREPARATION 45 3-fluoro-3'-nitro-4'-(trifluoromethyl)-4-biphenylamine To a solution of 1, 4-dibromo-2-nitrobenzene (5.0 g, 17.8 mMol) in 1-methyl-2-pyrrolidinone (25 mL) was added copper(I) iodide (0.85 g, 4.5 mMol) and methyl 2-(fluorosulfonyl)difluoroacetate (4.6 mL, 36.1 mMol). The reaction mixture was heated at 80° C. for 24 h. After cooling to room temperature, the reaction mixture was diluted with water and the organics were extracted with ethyl acetate, filtered to remove insolubles, washed with brine, dried over magnesium sulfate, and concentrated in vacuo. Purification of the residue by silica gel chromatography (5percent ethyl acetate/hexanes) gave the intermediate 4-bromo-2-nitro-1-(trifluoromethyl)benzene (4.10 g, 85percent) as a yellow oil. To a solution of 5-methyl-3 -(tetramethyl- 1, 3 , 2-dioxaborolan-2-yl)cyclohex-2-en- 1-one (18.00 g, 76.23 mmol) in dioxane (500 mL) was added To a solution of To a solution of
Computed Properties
Molecular Weight:270.00
XLogP3:3.3
Hydrogen Bond Acceptor Count:5
Exact Mass:268.92993
Monoisotopic Mass:268.92993
Topological Polar Surface Area:45.8
Heavy Atom Count:14
Complexity:228
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-BROMO-2-NITRO-1-(TRIFLUOROMETHYL)BENZENE
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