2-Fluorobenzeneacetonitrile
Properties
- Molecular formula
- C8H6FN
- Molar mass
- 135.14 g/mol
- Exact mass
- 135.0484 Da
- Boiling point
- 232 °C
- logP
- 1.89Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H226 Flammable liquid and vapor10.6% of notifiers
- H302 Harmful if swallowed97.9% of notifiers
- H312 Harmful in contact with skin97.9% of notifiers
- H315 Causes skin irritation97.9% of notifiers
- H319 Causes serious eye irritation97.9% of notifiers
- H332 Harmful if inhaled97.9% of notifiers
- H335 May cause respiratory irritation87.2% of notifiers
Aggregated from 47 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
326-62-5SMILES
N#CCc1ccccc1FInChIKey
DAVJMKMVLKOQQC-UHFFFAOYSA-NInChI
InChI=1S/C8H6FN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- Benzeneacetonitrile, 2-fluoro-
- Acetonitrile, (o-fluorophenyl)-
- o-Fluorobenzyl cyanide
- 2-Fluorobenzyl cyanide
- (2-Fluorophenyl)acetonitrile
- o-Fluorophenylacetonitrile
- o-Fluorobenzyl nitrile
- NSC 88280
- 2-Fluorobenzylnitrile
- 2-(2-Fluorophenyl)acetonitrile
Work with 2-Fluorobenzeneacetonitrile
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
2,3-Difluorophenylacetonitrile145689-34-571 % similar
o-Phenylenediacetonitrile613-23-065 % similar
1,2-Benzenediacetonitrile613-73-065 % similar
2,6-Difluorobenzeneacetonitrile654-01-363 % similar
2,4-Difluorophenylacetonitrile656-35-960 % similar
2,5-Difluorobenzeneacetonitrile69584-87-860 % similar
2,4,5-Trifluorophenylacetonitrile220141-74-257 % similar
2,3,4-Trifluorophenylacetonitrile243666-13-957 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.