Fluoroacetonitrile
Properties
- Molecular formula
- C2H2FN
- Molar mass
- 59.04 g/mol
- Exact mass
- 59.0171 Da
- Density
- 1.073 g/mL (at 16 °C)
- Boiling point
- 81.8–82 °C
- logP
- 0.48Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin100% of notifiers
- H315 Causes skin irritation97.6% of notifiers
- H319 Causes serious eye irritation97.6% of notifiers
- H331 Toxic if inhaled97.6% of notifiers
- H335 May cause respiratory irritation95.1% of notifiers
Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
503-20-8SMILES
N#CCFInChIKey
GNFVFPBRMLIKIM-UHFFFAOYSA-NInChI
InChI=1S/C2H2FN/c3-1-2-4/h1H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Acetonitrile, fluoro-
- Fluoromethyl cyanide
- Monofluoroacetonitrile
- 2-Fluoroacetonitrile
Work with Fluoroacetonitrile
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
Malononitrile109-77-340 % similar
Succinonitrile110-61-240 % similar
Adiponitrile111-69-335 % similar
Glutaronitrile544-13-835 % similar
Allyl cyanide109-75-135 % similar
2-(Methyleneamino)acetonitrile109-82-035 % similar
Propionitrile107-12-033 % similar
Chloroacetonitrile107-14-233 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.