Chemical Properties of 3-(Trifluoromethoxy)bromobenzene (CAS 2252-44-0)

3-(Trifluoromethoxy)bromobenzene

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InChI
InChI=1S/C7H4BrF3O/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H
InChI Key
WVUDHWBCPSXAFN-UHFFFAOYSA-N
Formula
C7H4BrF3O
SMILES
FC(F)(F)Oc1cccc(Br)c1
Molecular Weight1
241.01
CAS
2252-44-0
Other Names
  • 1-Bromo-3-trifluoromethoxy-benzene
  • Anisole, m-bromo-«alpha»«alpha»«alpha»-trifluoro-
  • Benzene, 1-bromo-3-(trifluoromethoxy)-
Sources

Physical Properties

Property Value Unit Source
Δf -561.43 kJ/mol Joback Calculated Property
Δfgas -665.72 kJ/mol Joback Calculated Property
Δfus 15.84 kJ/mol Joback Calculated Property
Δvap 39.21 kJ/mol Joback Calculated Property
logPoct/wat 3.35 Crippen Calculated Property
Pc 3727.11 kPa Joback Calculated Property
Tboil 474.38 K Joback Calculated Property
Tc 683.93 K Joback Calculated Property
Tfus 293.81 K Joback Calculated Property
Vc 0.44 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 222.56 J/mol×K 474.38 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

P-bromophenyl trifluoromethyl ether. Benzene, 1-bromo-3-methoxy-. Trifluoromethoxybenzene. Phenol, 4-(trifluoromethoxy)-. 1-Bromo-2,5-dimethoxybenzene. 4-Bromoguaiacol. Benzene, 4-bromo-1,2-dimethoxy-. Phenol, 3-bromo-, acetate. P-fluorophenyl trifluoromethyl ether. 1-Bromo-2-methoxybenzene. 2,6-Dibromo-4-methoxytoluene. Benzaldehyde, 4-(trifluoromethoxy)-. 2,4,5-Tribromoanisole. Benzene, 1-bromo-4-methoxy-. P-trifluoromethoxybenzyl alcohol.

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