(Trifluoromethoxy)benzene
Properties
- Molecular formula
- C7H5F3O
- Molar mass
- 162.11 g/mol
- Exact mass
- 162.0292 Da
- Density
- 1.2263 g/mL (at 20 °C)
- Melting point
- −50 °C
- Boiling point
- 102 °C
- logP
- 2.59Crippen estimate
- Polar surface area
- 9.2 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation93.8% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
456-55-3SMILES
FC(F)(F)Oc1ccccc1InChIKey
GQHWSLKNULCZGI-UHFFFAOYSA-NInChI
InChI=1S/C7H5F3O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Benzene, (trifluoromethoxy)-
- Anisole, α,α,α-trifluoro-
- Phenyl trifluoromethyl ether
- Trifluoromethyl phenyl ether
- α,α,α-Trifluoroanisole
- 1-(Trifluoromethoxy)benzene
- 1-Trifluoromethoxybenzene
Work with (Trifluoromethoxy)benzene
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1-Fluoro-4-(trifluoromethoxy)benzene352-67-058 % similar
3-(Trifluoromethoxy)fluorobenzene1077-01-658 % similar
1-Chloro-3-(trifluoromethoxy)benzene772-49-658 % similar
1-Iado-4-(trifluoromethoxy)benzene103962-05-656 % similar
4-(Trifluoromethoxy)thiophenol169685-29-456 % similar
1-Bromo-4-(trifluoromethoxy)benzene407-14-756 % similar
1-Chloro-4-(trifluoromethoxy)benzene461-81-456 % similar
4-(Trifluoromethoxy)aniline461-82-556 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds
Same formula
2,3,6-Trifluorobenzyl alcohol114152-19-1
2,4,6-Trifluorobenzyl alcohol118289-07-9
2,3,4-Trifluorobenzyl alcohol144284-24-2
2,4,5-Trifluorobenzyl alcohol144284-25-3
2,3,4-Trifluoroanisole203245-16-3
3,4,5-Trifluorobenzenemethanol220227-37-2
4-(Trifluoromethyl)phenol402-45-9
2-(Trifluoromethyl)phenol444-30-4