2-Fluoro-6-phenoxybenzonitrile
Properties
- Molecular formula
- C13H8FNO
- Molar mass
- 213.21 g/mol
- Exact mass
- 213.0590 Da
- logP
- 3.49Crippen estimate
- Polar surface area
- 33.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed14.3% of notifiers
- H302 Harmful if swallowed71.4% of notifiers
- H311 Toxic in contact with skin14.3% of notifiers
- H312 Harmful in contact with skin14.3% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H331 Toxic if inhaled14.3% of notifiers
- H332 Harmful if inhaled14.3% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
175204-06-5SMILES
C1=CC=C(C=C1)OC2=C(C(=CC=C2)F)C#NInChIKey
FBHXELGUZCMKQY-UHFFFAOYSA-NInChI
InChI=1S/C13H8FNO/c14-12-7-4-8-13(11(12)9-15)16-10-5-2-1-3-6-10/h1-8HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-Fluoro-6-phenoxybenzonitrile
Similar compounds
2-Fluoro-6-(4-fluorophenoxy)benzonitrile175204-07-679 % similar
2-Fluoro-6-(4-methylphenoxy)benzonitrile175204-08-775 % similar
2-Fluoro-6-[4-(methylthio)phenoxy]benzonitrile148901-52-469 % similar
2-Fluoro-6-methoxybenzonitrile94088-46-763 % similar
2-Fluorodiphenyl ether124330-20-761 % similar
2,6-Difluorobenzonitrile1897-52-560 % similar
2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile119584-74-655 % similar
3-Fluoro-1,2-benzenedicarbonitrile65610-13-153 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.