328-75-6

Basic information

• Product Name: 3,5-Bis(trifluoromethyl)nitrobenzene
• Synonyms: alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-5-nitro-m-xylene;Benzene, 1-nitro-3,5-bis(trifluoromethyl)-;LABOTEST-BB LT01143370;1-NITRO-3,5-BIS(TRIFLUOROMETHYL)BENZENE;1,3-BIS(TRIFLUOROMETHYL)-5-NITROBENZENE;5-NITRO-1,3-BIS(TRIFLUOROMETHYL)BENZENE;A,A,A,A',A',A'-HEXAFLUORO-5-NITRO-M-XYLENE;3,5-DI(TRIFLUOROMETHYLNITRO)BENZENE
• CAS NO: 328-75-6
• Molecular Formula: C₈H₃F₆NO₂
• Molecular Weight: 259.11
• EINECS: 206-336-6
• Product Categories: Nitro Compounds;Nitrogen Compounds;Organic Building Blocks;Building Blocks;Chemical Synthesis;Nitro Compounds;Nitrogen Compounds;Organic Building Blocks
• Mol File: 328-75-6.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 71-72 °C(lit.)
• Flash Point: 172 °F
• Appearance: Clear yellow/Liquid
• Density: 1.535 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0416mmHg at 25°C
• Refractive Index: n20/D 1.427(lit.)
• Storage Temp.: 2-8°C
• BRN: 1998251
• CAS DataBase Reference: 3,5-Bis(trifluoromethyl)nitrobenzene(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-Bis(trifluoromethyl)nitrobenzene(328-75-6)
• EPA Substance Registry System: 3,5-Bis(trifluoromethyl)nitrobenzene(328-75-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-24/25-36-37
• WGK Germany: 3
• HazardClass: IRRITANT
• PackingGroup: III
• Hazardous Substances Data: 328-75-6(Hazardous Substances Data)

Usage

Chemical Properties

CLEAR YELLOW LIQUID

InChI:InChI=1/C8H6F3NO3/c1-15-7-3-5(8(9,10)11)2-6(4-7)12(13)14/h2-4H,1H3

Upstream product

• 618-88-2 5-nitrobenzene-1,3-dicarboxylic acid 
• 402-31-3 1,3-bis(trifluoromethyl)benzene 

Downstream Products

• 98012-88-5 6-amino-2,4-bis(trifluoromethyl)benzonitrile 
• 349-60-0 1-methoxy-3,5-bis(trifluoromethyl)benzene 
• 35564-19-3 1-fluoro-3,5-bis-(trifluoromethyl)benzene 
• 105653-15-4 N-(3,5-bis(trifluoromethyl)phenyl)hydroxylamine 
• 328-74-5 3,5-Bis-(trifluoromethyl)aniline 
• 208759-89-1 (1,10-phenanthroline)Pd(C(O)N(m-(CF₃)2C₆H₃)OC(O)) 
• 1379685-92-3 2-[(1R,2R)-2-(dipropylamino)cyclohexylamino]-5,7-bis(trifluoromethyl)quinazolin-4(3H)-one 
• 1379685-91-2 2-[(1R,2R)-2-(dimethylamino)cyclohexylamino]-5,7-bis(trifluoromethyl)quinazolin-4(3H)-one 
• 1379686-14-2 2-amino-4,6-bis(trifluoromethyl)benzoic acid 
• 1345265-79-3 3,5-bis(trifluoromethyl)anilino-2-[(4S)-4-isobutyl-4,5-dihydro-1,3-oxazol-2-yl]-3,5-bis(trifluoromethyl)anilinomethanethione 
• 1345265-75-9 3,5-bis(trifluoromethyl)anilino-2-[(4S)-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]-3,5-bis(trifluoromethyl)anilinomethanethione 
• 1345265-93-1 2-[(4S)-4-isobutyl-4,5-dihydro-1,3-oxazol-2-yl]-3,5-bis(trifluoromethyl)aniline 
• 1345265-88-4 2-[(4S)-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]-3,5-bis(trifluoromethyl)aniline 
• 75092-05-6 3,3′,5,5′-tetrakis(trifluoromethyl )hydrazobenzene 

Relevant articles and documents

Novel compound 1 - bromo -2 , 4, 6 -trifluoro -3, 5 -bis (trifluoromethyl) benzene and preparation method thereof (by machine translation)

The invention relates to the field of industrial organic synthesis, and particularly discloses a compound shown as a formula I, and the chemical formula is 1 - bromo -2 , 4, 6 -trifluoro -3, 5 -trifluoromethyl benzene and a preparation method thereof. The method comprises the steps of nitration, catalytic hydrogenation, chlorination, diazotization, fluoro and the like. The preparation method has the characteristics of easily available raw materials, simple process, controllable reaction conditions and the like, is suitable for industrial production and can be used as a key intermediate to prepare OLED materials. (by machine translation)

Nitration of Strongly Deactivated Aromatics with Superacidic Mixed Nitric-Triflatoboric Acid (HNO3/2CF3SO3H-B(O3SCF3)3)

The nitration of various deactivated arenes (including methanesulfonyl-, nitro-, and polyhalobenzenes) was carried out in good yield with mixed nitric-triflatoboric superacid.For example pentafluorobenzene gave pentafluoronitrobenzene in 99percent yield, nitrobenzene to m-dinitrobenzene in 92percent selectivity with 85percent overall yield, and methyl phenyl sulfone gave only the m-nitro isomer in 78percent isolated yield.Thus the new nitrating system gives high regioselectivity and yields under generally mild reaction conditions.The reagent system is compatible with many functional groups of arenes.