3,5-Bis(trifluoromethyl)benzyl bromide

CAS No.：32247-96-4

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This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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3,5-Bis(trifluoromethyl)benzyl bromide Basic information

Product Name:	3,5-Bis(trifluoromethyl)benzyl bromide
Synonyms:	3,5-Bis(trifluoromethyl)benzyl bromide, 97+%;5-Bis(trifluoroMethyl)benzyl broMide;3,5-Bis(trifluoremethyl)benzylbromide;1,3-Bis(trifluoromethyl)-5-(bromomethyl)benzene;3,5-Bis(trifluoromethyl)benzylbromiode;{[3,5-bis(trifluoroMethyl)phenyl]Methyl}broManuide;3,5-Bis(trifluoroMethyl)benzyl broMide, 97% 1GR;Benzene,1-(broMoMethyl)-3,5-bis(trifluoroMethyl)-
CAS:	32247-96-4
MF:	C9H5BrF6
MW:	307.03
EINECS:	250-971-1
Product Categories:	Aromatic Halides (substituted);Fluorides
Mol File:	32247-96-4.mol

3,5-Bis(trifluoromethyl)benzyl bromide Chemical Properties

Melting point	18°C
Boiling point	136-140°C 14mm
density	1.675 g/mL at 25 °C(lit.)
refractive index	n20/D 1.445(lit.)
Fp	79 °F
storage temp.	Inert atmosphere,2-8°C
solubility	Difficult to mix.
form	Liquid
Specific Gravity	1.675
color	Clear colorless to yellow-brown
Sensitive	Lachrymatory
BRN	656506
CAS DataBase Reference	32247-96-4(CAS DataBase Reference)
NIST Chemistry Reference	3,5-Bis(trifluoromethyl)benzyl bromide(32247-96-4)

Safety Information

Hazard Codes	C,F
Risk Statements	10-34
Safety Statements	26-36/37/39-45-25-16
RIDADR	UN 2920 8/PG 2
WGK Germany	3
Hazard Note	Corrosive/Lachrymatory
HazardClass	8
PackingGroup	III
HS Code	29039990

MSDS Information

Provider	Language
3,5-Bis(trifluoromethyl)benzyl bromide	English
ACROS	English
SigmaAldrich	English
ALFA	English

3,5-Bis(trifluoromethyl)benzyl bromide Usage And Synthesis

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 %.

3,5-Bis(trifluoromethyl)benzyl bromide Preparation Products And Raw materials

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