2,6-Difluorobenzonitrile
Properties
- Molecular formula
- C7H3F2N
- Molar mass
- 139.10 g/mol
- Exact mass
- 139.0234 Da
- Melting point
- 31 °C
- Boiling point
- 99 °C
- logP
- 1.84Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed97.5% of notifiers
- H312 Harmful in contact with skin70.6% of notifiers
- H315 Causes skin irritation40.3% of notifiers
- H319 Causes serious eye irritation40.3% of notifiers
- H332 Harmful if inhaled69.7% of notifiers
- H335 May cause respiratory irritation38.7% of notifiers
Aggregated from 119 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1897-52-5SMILES
N#Cc1c(F)cccc1FInChIKey
BNBRIFIJRKJGEI-UHFFFAOYSA-NInChI
InChI=1S/C7H3F2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Benzonitrile, 2,6-difluoro-
Work with 2,6-Difluorobenzonitrile
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
3-Fluoro-1,2-benzenedicarbonitrile65610-13-175 % similar
2-Chloro-6-fluorobenzonitrile668-45-172 % similar
2-Bromo-6-fluorobenzonitrile79544-27-772 % similar
2-Cyano-3-fluorophenol140675-43-069 % similar
2-Fluoro-6-methylbenzonitrile198633-76-069 % similar
2-Amino-6-fluorobenzonitrile77326-36-469 % similar
2-Fluoro-6-iodobenzonitrile79544-29-969 % similar
2-Fluoro-6-(trifluoromethyl)benzonitrile133116-83-364 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.