1-Fluoro-4-(trifluoromethoxy)benzene
Properties
- Molecular formula
- C7H4F4O
- Molar mass
- 180.10 g/mol
- Exact mass
- 180.0198 Da
- Density
- 1.323 g/mL (at 20 °C)
- Boiling point
- 104–105 °C
- logP
- 2.72Crippen 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 irritation97.8% of notifiers
- H319 Causes serious eye irritation97.8% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 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
352-67-0SMILES
Fc1ccc(OC(F)(F)F)cc1InChIKey
JULMJGDXANEQDP-UHFFFAOYSA-NInChI
InChI=1S/C7H4F4O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Benzene, 1-fluoro-4-(trifluoromethoxy)-
- Anisole, p,α,α,α-tetrafluoro-
- 4-Fluorophenyl trifluoromethyl ether
- 4-(Trifluoromethoxy)fluorobenzene
- 4-Fluoro-α,α,α-trifluoroanisole
- 4-Fluoro(trifluoromethoxy)benzene
- α,α,α,4-Tetrafluoroanisole
- 4-Trifluoromethoxyphenyl fluoride
- 4-Trifluoromethoxy-1-fluorobenzene
Work with 1-Fluoro-4-(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
(Trifluoromethoxy)benzene456-55-358 % similar
1-Iado-4-(trifluoromethoxy)benzene103962-05-658 % similar
4-(Trifluoromethoxy)thiophenol169685-29-458 % similar
1-Bromo-4-(trifluoromethoxy)benzene407-14-758 % similar
1-Chloro-4-(trifluoromethoxy)benzene461-81-458 % similar
4-(Trifluoromethoxy)aniline461-82-558 % similar
4-Trifluoromethoxytoluene706-27-458 % similar
1-Methoxy-4-(trifluoromethoxy)benzene710-18-958 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
3-(Trifluoromethoxy)fluorobenzene1077-01-6
4-Fluoro-2-(trifluoromethyl)phenol130047-19-7
2-Fluoro-5-(trifluoromethyl)phenol141483-15-0
3-Fluoro-5-(trifluoromethyl)phenol172333-87-8
2-Fluoro-3-(trifluoromethyl)phenol207291-85-8
1-Fluoro-2-(trifluoromethoxy)benzene2106-18-5
2,3,5,6-Tetrafluoroanisole2324-98-3
5-Fluoro-2-(trifluoromethyl)phenol243459-91-8