2,3,6-Trifluorobenzeneacetonitrile
Properties
- Molecular formula
- C8H4F3N
- Molar mass
- 171.12 g/mol
- Exact mass
- 171.0296 Da
- Boiling point
- 80–85 °C (at 5 Torr)
- logP
- 2.17Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, P501
Identifiers
CAS number
114152-21-5SMILES
N#CCc1c(F)ccc(F)c1FInChIKey
PQIFHBOOYBTJLD-UHFFFAOYSA-NInChI
InChI=1S/C8H4F3N/c9-6-1-2-7(10)8(11)5(6)3-4-12/h1-2H,3H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzeneacetonitrile, 2,3,6-trifluoro-
- 2-(2,3,6-Trifluorophenyl)acetonitrile
- 2,3,6-Trifluorophenylacetonitrile
Work with 2,3,6-Trifluorobenzeneacetonitrile
Similar compounds
3-Chloro-2,6-difluorophenylacetonitrile261762-55-471 % similar
2,6-Difluorobenzeneacetonitrile654-01-364 % similar
2,3-Difluorophenylacetonitrile145689-34-556 % similar
2,3,4,5,6-Pentafluorobenzeneacetonitrile653-30-556 % similar
2-Chloro-6-fluorobenzeneacetonitrile75279-55-955 % similar
2,3,6-Trifluorobenzyl alcohol114152-19-150 % similar
2,3,6-Trifluorobenzyl bromide151412-02-150 % similar
2-Fluoro-6-(trifluoromethyl)phenylacetonitrile179946-34-050 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds