290564
4-(Trifluoromethyl)benzyl bromide
98%
Synonym(s):
α′-Bromo-α,α,α-trifluoro-p-xylene, 4-(Bromomethyl)benzotrifluoride
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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.)
functional group
bromo
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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General description
Vibrational characteristics of 4-(trifluoromethyl)benzylbromide have been investigated.
Signal Word
Danger
Hazard Statements
Precautionary 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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Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 116, 84-95 (2013-08-06)
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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