Perfluorotoluene
Properties
- Molecular formula
- C7F8
- Molar mass
- 236.06 g/mol
- Exact mass
- 235.9872 Da
- Density
- 1.66 g/mL (at 25 °C)
- Melting point
- −65.6 °C
- Boiling point
- 104.5 °C
- logP
- 3.40Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H302 Harmful if swallowed90.4% of notifiers
- H315 Causes skin irritation90.4% of notifiers
- H319 Causes serious eye irritation90.4% of notifiers
- H331 Toxic if inhaled82.7% of notifiers
- H335 May cause respiratory irritation13.5% of notifiers
Aggregated from 52 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, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
434-64-0SMILES
Fc1c(F)c(F)c(C(F)(F)F)c(F)c1FInChIKey
USPWUOFNOTUBAD-UHFFFAOYSA-NInChI
InChI=1S/C7F8/c8-2-1(7(13,14)15)3(9)5(11)6(12)4(2)10Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Benzene, 1,2,3,4,5-pentafluoro-6-(trifluoromethyl)-
- Toluene, octafluoro-
- Benzene, pentafluoro(trifluoromethyl)-
- 1,2,3,4,5-Pentafluoro-6-(trifluoromethyl)benzene
- Octafluorotoluene
- (Trifluoromethyl)pentafluorobenzene
- Pentafluorobenzotrifluoride
- Pentafluoro(trifluoromethyl)benzene
- 1-Trifluoromethyl-2,3,4,5,6-pentafluorobenzene
- NSC 88302
Work with Perfluorotoluene
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
4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride17823-46-068 % similar
3-Chloro-2,4,5,6-tetrafluorobenzotrifluoride4284-09-767 % similar
2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenol2787-79-365 % similar
2,3,5,6-Tetrafluoro-4-aminobenzotrifluoride651-83-265 % similar
2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenethiol651-84-365 % similar
[2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]hydrazine1868-85-559 % similar
3,5-Dichloro-2,4,6-trifluorobenzotrifluoride4284-10-057 % similar
2,3,5,6-Tetrafluorobenzotrifluoride651-80-957 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.