4-(Difluoromethoxy)benzonitrile
Properties
- Molecular formula
- C8H5F2NO
- Molar mass
- 169.13 g/mol
- Exact mass
- 169.0339 Da
- logP
- 2.16Crippen estimate
- Polar surface area
- 33.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled33.3% of notifiers
- H301 Toxic if swallowed66.7% of notifiers
- H302 Harmful if swallowed33.3% of notifiers
- H311 Toxic in contact with skin66.7% of notifiers
- H312 Harmful in contact with skin33.3% of notifiers
- H315 Causes skin irritation66.7% of notifiers
- H319 Causes serious eye irritation66.7% of notifiers
- H331 Toxic if inhaled66.7% of notifiers
- H332 Harmful if inhaled33.3% of notifiers
- H335 May cause respiratory irritation33.3% of notifiers
Aggregated from 3 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
90446-25-6SMILES
C1=CC(=CC=C1C#N)OC(F)FInChIKey
OGMOYCCCAFJQKI-UHFFFAOYSA-NInChI
InChI=1S/C8H5F2NO/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-(Difluoromethoxy)benzonitrile
Similar compounds
3-(Difluoromethoxy)benzonitrile97582-88-263 % similar
(Difluoromethoxy)benzene458-92-456 % similar
4-(Difluoromethoxy)phenylacetonitrile41429-16-755 % similar
4-Fluorobenzonitrile1194-02-150 % similar
1-(Difluoromethoxy)-4-iodobenzene128140-82-950 % similar
Alpha,alpha-Difluoro-p-methylanisole1583-83-150 % similar
4-(Difluoromethoxy)aniline22236-10-850 % similar
4-Phenoxybenzonitrile3096-81-950 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
2,6-Difluoro-4-methoxybenzonitrile123843-66-3
2,4-Difluoro-3-methoxybenzonitrile220353-20-8
4,6-Difluorooxindole247564-57-4
2,3-Difluoro-4-methoxybenzonitrile256417-12-6
4,5-Difluoro-2-methoxybenzonitrile425702-28-9
2-(Difluoromethoxy)benzonitrile56935-78-5
5,6-Difluorooxindole71294-07-0
4,5-Difluorooxindole850429-64-0