Chemical Properties of 3-(Trifluoromethoxy)benzyl bromide (CAS 159689-88-0)

3-(Trifluoromethoxy)benzyl bromide

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InChI
InChI=1S/C8H6BrF3O/c9-5-6-2-1-3-7(4-6)13-8(10,11)12/h1-4H,5H2
InChI Key
QSIVWRRHVXSDNE-UHFFFAOYSA-N
Formula
C8H6BrF3O
SMILES
FC(F)(F)Oc1cccc(CBr)c1
Molecular Weight1
255.03
CAS
159689-88-0
Sources

Physical Properties

Property Value Unit Source
Δf -553.01 kJ/mol Joback Calculated Property
Δfgas -686.36 kJ/mol Joback Calculated Property
Δfus 18.43 kJ/mol Joback Calculated Property
Δvap 41.44 kJ/mol Joback Calculated Property
logPoct/wat 3.48 Crippen Calculated Property
Pc 3325.84 kPa Joback Calculated Property
Tboil 497.26 K Joback Calculated Property
Tc 703.82 K Joback Calculated Property
Tfus 305.08 K Joback Calculated Property
Vc 0.50 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 263.26 J/mol×K 497.26 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 1
>C< 1
-Br 1

Similar Compounds

4-(Trifluoromethoxy)benzyl bromide. M-trifluoromethoxybenzyl alcohol. 3-(Trifluoromethoxy)benzylamine. 3-(Trifluoromethoxy)benzonitrile. 3-(Trifluoromethoxy)phenylacetonitrile. M-trifluoromethoxybenzoic acid. 3-(Trifluoromethoxy)benzamide. 3-(Trifluoromethoxy)benzoyl chloride. 3-(Trifluoromethoxy)cinnamic acid. Benzaldehyde, 4-(trifluoromethoxy)-. P-trifluoromethoxybenzyl alcohol. Methyl 3-trifluoromethoxybenzoate. Benzene, 1-methoxy-3-methyl-. Benzene, 1-ethenyl-3-methoxy-. 3,5-Dimethylanisole.

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