3-Fluoro-4-methoxyphenylacetonitrile
Properties
- Molecular formula
- C9H8FNO
- Molar mass
- 165.17 g/mol
- Exact mass
- 165.0590 Da
- logP
- 1.90Crippen 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+H312+H332 Harmful if swallowed, in contact with skin or if inhaled14.3% of notifiers
- H302 Harmful if swallowed71.4% of notifiers
- H311 Toxic in contact with skin14.3% of notifiers
- H312 Harmful in contact with skin71.4% of notifiers
- H315 Causes skin irritation42.9% of notifiers
- H319 Causes serious eye irritation42.9% of notifiers
- H331 Toxic if inhaled14.3% of notifiers
- H332 Harmful if inhaled71.4% of notifiers
- H335 May cause respiratory irritation42.9% 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
404-90-0SMILES
COC1=C(C=C(C=C1)CC#N)FInChIKey
OFCMGCZEFVKTAN-UHFFFAOYSA-NInChI
InChI=1S/C9H8FNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Fluoro-4-methoxyphenylacetonitrile
Similar compounds
3,4-Dimethoxybenzeneacetonitrile93-17-471 % similar
3,4-Difluorobenzeneacetonitrile658-99-167 % similar
3-Bromo-4-methoxyphenylacetonitrile772-59-863 % similar
3-Fluoro-4-methoxybenzyl bromide331-61-359 % similar
3-Fluoro-4-methoxybenzyl chloride351-52-059 % similar
(4-Hydroxy-3-methoxyphenyl)acetonitrile4468-59-159 % similar
4-Benzyloxy-3-methoxyphenylacetonitrile1700-29-457 % similar
(4-Chloro-3-fluoro-phenyl)-acetonitrile251570-03-355 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.