Pentafluorobenzonitrile
Properties
- Molecular formula
- C7F5N
- Molar mass
- 193.08 g/mol
- Exact mass
- 192.9951 Da
- Melting point
- 2.4 °C
- Boiling point
- 162 °C
- logP
- 2.25Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H302 Harmful if swallowed10.9% of notifiers
- H312 Harmful in contact with skin10.9% of notifiers
- H315 Causes skin irritation15.6% of notifiers
- H319 Causes serious eye irritation15.6% of notifiers
- H332 Harmful if inhaled10.9% of notifiers
- H335 May cause respiratory irritation14.1% of notifiers
Aggregated from 64 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
773-82-0SMILES
N#Cc1c(F)c(F)c(F)c(F)c1FInChIKey
YXWJGZQOGXGSSC-UHFFFAOYSA-NInChI
InChI=1S/C7F5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzonitrile, 2,3,4,5,6-pentafluoro-
- Benzonitrile, pentafluoro-
- 2,3,4,5,6-Pentafluorobenzonitrile
- Perfluorobenzonitrile
- Pentafluorocyanobenzene
- Cyanopentafluorobenzene
- Pentafluorophenyl cyanide
- NSC 88294
Work with Pentafluorobenzonitrile
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
2,4,5,6-Tetrafluoroisophthalonitrile2377-81-394 % similar
Tetrafluoroterephthalonitrile1835-49-093 % similar
3,4,5,6-Tetrafluoro-1,2-benzenedicarbonitrile1835-65-088 % similar
2,4,6-Trifluorobenzene-1,3,5-tricarbonitrile3638-97-981 % similar
4-Amino-2,3,5,6-tetrafluorobenzonitrile17823-38-067 % similar
2,3,5,6-Tetrafluorobenzonitrile5216-17-162 % similar
5-Chloro-2,4,6-trifluoro-1,3-benzenedicarbonitrile1897-50-359 % similar
2,3,6-Trifluorobenzonitrile136514-17-550 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.