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290564

Sigma-Aldrich

4-(Trifluoromethyl)benzyl bromide

98%

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Synonym(s):
α′-Bromo-α,α,α-trifluoro-p-xylene, 4-(Bromomethyl)benzotrifluoride
Linear Formula:
CF3C6H4CH2Br
CAS Number:
Molecular Weight:
239.03
Beilstein:
638980
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Assay

98%

form

solid

refractive index

n20/D 1.484 (lit.)

bp

65-69 °C/5 mmHg (lit.)

mp

29-33 °C (lit.)

density

1.546 g/mL at 25 °C (lit.)

SMILES string

FC(F)(F)c1ccc(CBr)cc1

InChI

1S/C8H6BrF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2

InChI key

IKSNDOVDVVPSMA-UHFFFAOYSA-N

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1 of 4

This Item
290556217727290912
form

solid

form

-

form

liquid

form

-

refractive index

n20/D 1.484 (lit.)

refractive index

n20/D 1.492 (lit.)

refractive index

n20/D 1.507 (lit.)

refractive index

n20/D 1.379 (lit.)

bp

65-69 °C/5 mmHg (lit.)

bp

69 °C/4 mmHg (lit.)

bp

66-67 °C/3 mmHg (lit.)

bp

116 °C (lit.)

mp

29-33 °C (lit.)

mp

-

mp

-

mp

-

density

1.546 g/mL at 25 °C (lit.)

density

1.565 g/mL at 25 °C (lit.)

density

1.386 g/mL at 25 °C (lit.)

density

1.381 g/mL at 25 °C (lit.)

General description

Vibrational characteristics of 4-(trifluoromethyl)benzylbromide have been investigated.

Pictograms

Corrosion

Signal Word

Danger

Hazard Statements

Hazard Classifications

Skin Corr. 1B

Storage Class Code

8A - Combustible, corrosive hazardous materials

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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In this work, the vibrational characteristics of 4-(trifluoromethyl) benzylbromide (TFMBB) have been investigated and both the experimental and theoretical vibrational data indicate the presence of functional groups in the title molecule. The density functional theoretical (DFT) computations were performed at
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