1,2,3,4-Tetrafluoro-5-(trifluoromethyl)benzene
Properties
- Molecular formula
- C7HF7
- Molar mass
- 218.07 g/mol
- Exact mass
- 217.9966 Da
- Boiling point
- 102–105.5 °C
- logP
- 3.26Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor20% of notifiers
- H226 Flammable liquid and vapor80% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation80% of notifiers
Aggregated from 5 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
654-53-5SMILES
Fc1cc(C(F)(F)F)c(F)c(F)c1FInChIKey
ZWVOHERGWLDGFT-UHFFFAOYSA-NInChI
InChI=1S/C7HF7/c8-3-1-2(7(12,13)14)4(9)6(11)5(3)10/h1HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzene, 1,2,3,4-tetrafluoro-5-(trifluoromethyl)-
- Toluene, α,α,α,2,3,4,5-heptafluoro-
- 2,3,4,5-Tetrafluorobenzotrifluoride
- α,α,α,2,3,4,5-Heptafluorotoluene
Work with 1,2,3,4-Tetrafluoro-5-(trifluoromethyl)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
Pentafluorobenzene363-72-455 % similar
3,4,5-Trifluorobenzotrifluoride80172-04-954 % similar
1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-548 % similar
4-Amino-2,5-difluorobenzotrifluoride114973-22-747 % similar
4-Fluoro-3-(trifluoromethyl)phenol61721-07-145 % similar
3-Chloro-4,5-difluorobenzotrifluoride77227-99-744 % similar
1,4-Difluoro-2-(trifluoromethyl)benzene393-38-443 % similar
2,4-Difluorobenzotrifluoride64248-61-943 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.