32247-96-4

Basic information

• Product Name: 3,5-Bis(trifluoromethyl)benzyl bromide
• Synonyms: 3,5-Bis(trifluoromethyl)benzyl bromide, 97+%;1,3-Bis(trifluoromethyl)-5-(bromomethyl)benzene;3,5-Bis(trifluoromethyl)benzylbromiode;5-Bis(trifluoroMethyl)benzyl broMide;3,5-Bis(trifluoremethyl)benzylbromide;{[3,5-bis(trifluoroMethyl)phenyl]Methyl}broManuide;3,5-Bis(trifluoroMethyl)benzyl broMide, 97% 1GR;Benzene,1-(broMoMethyl)-3,5-bis(trifluoroMethyl)-
• CAS NO: 32247-96-4
• Molecular Formula: C₉H₅BrF₆
• Molecular Weight: 307.03
• EINECS: 250-971-1
• Product Categories: Fluorides;Aromatic Halides (substituted)
• Mol File: 32247-96-4.mol
• Article Data: 5

Chemical Properties

• Melting Point: 18°C
• Boiling Point: 136-140°C 14mm
• Flash Point: 79 °F
• Appearance: Clear colorless to yellow-brown/Liquid
• Density: 1.675 g/mL at 25 °C(lit.)
• Vapor Pressure: 1.34mmHg at 25°C
• Refractive Index: n20/D 1.445(lit.)
• Storage Temp.: Flammables area
• Solubility: Difficult to mix.
• Sensitive: Lachrymatory
• BRN: 656506
• CAS DataBase Reference: 3,5-Bis(trifluoromethyl)benzyl bromide(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-Bis(trifluoromethyl)benzyl bromide(32247-96-4)
• EPA Substance Registry System: 3,5-Bis(trifluoromethyl)benzyl bromide(32247-96-4)

Safety Data

• Hazard Codes: C,F
• Statements: 10-34
• Safety Statements: 26-36/37/39-45-25-16
• RIDADR: UN 2920 8/PG 2
• WGK Germany: 3
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 32247-96-4(Hazardous Substances Data)

Usage

Chemical Properties

White or Colorles to Yellow to Orange powder to lump to clear liquid

Uses

3,5-Bis(trifluoromethyl)benzyl bromide is used as derivatization reagent in detection of uracil in DNA by GC and negative chemical ionization mass spectrometry in enantioselective synthesis of non-peptidic neurokinin NK1 receptor antagonist.

Synthesis

Synthesis of 3, 5-bis (trifluoromethyl)-benzyl bromide:In a 4-neck flask with capacity 1000 ml equipped with mechanical agitator, thermometer, bubble condenser and 100 ml loading funnel, 262.2 g of the product of Example 1 (ii) at 92. 8% (0. 988 moles), 550,2 g HBr 48% (3.2645 moles) are loaded; this is heated at 50°C so as to melt the alcohol, then one starts to dose 113 g of concentrated His04 (1.153 moles). Pouring is accomplished in 30 minutes, noting an increase of the internal temperature. This is heated to 100-105°C and left to react for 8 hours. The reaction is completed by reflux heating for per 1.5 hours. the mixture is left to settle and the phases are separated; the solvents are removed from the organic phase and the product in the title is obtained with a yield of 99.1 %.

InChI:InChI=1/C9H5BrF6/c10-4-5-1-6(8(11,12)13)3-7(2-5)9(14,15)16/h1-3H,4H2

Upstream product

• 32707-89-4 3,5-bis(trifluoromethyl)benzenemethanol 

Downstream Products

• 562817-60-1 (2S,3S)-1-(tert-butyloxycarbonyl)-2-phenyl-3-[(3,5)-bis(trifluoromethyl)benzyloxy]piperidine 
• 345579-60-4 [4-(3,5-bis-trifluoromethyl-benzyloxy)-3-tert-butoxycarbonylamino-3-phenyl-butyl]-carbamic acid tert-butyl ester 
• 634187-26-1 3-[3,5-Bis(trifluoromethyl)benzyl]thiazolidine-2,4-dione 

Relevant articles and documents

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