2-Fluoro-4-methylbenzonitrile
Properties
- Molecular formula
- C8H6FN
- Molar mass
- 135.14 g/mol
- Exact mass
- 135.0484 Da
- logP
- 2.01Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled16.7% of notifiers
- H301 Toxic if swallowed16.7% of notifiers
- H302 Harmful if swallowed83.3% of notifiers
- H311 Toxic in contact with skin16.7% of notifiers
- H312 Harmful in contact with skin83.3% of notifiers
- H315 Causes skin irritation83.3% of notifiers
- H318 Causes serious eye damage16.7% of notifiers
- H319 Causes serious eye irritation83.3% of notifiers
- H331 Toxic if inhaled33.3% of notifiers
- H332 Harmful if inhaled66.7% of notifiers
- H335 May cause respiratory irritation83.3% of notifiers
Aggregated from 6 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, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
85070-67-3SMILES
CC1=CC(=C(C=C1)C#N)FInChIKey
WCGNLBCJPBKXCN-UHFFFAOYSA-NInChI
InChI=1S/C8H6FN/c1-6-2-3-7(5-10)8(9)4-6/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-Fluoro-4-methylbenzonitrile
Similar compounds
2-Fluoro-5-methylbenzonitrile64113-84-472 % similar
4-Methylphthalonitrile63089-50-964 % similar
2-Fluoro-1,4-benzenedicarbonitrile1897-53-660 % similar
2,4-Dimethylbenzonitrile21789-36-660 % similar
2,4-Difluorobenzonitrile3939-09-160 % similar
2-Fluoro-4-hydroxybenzonitrile82380-18-558 % similar
2,5-Dimethylbenzonitrile13730-09-157 % similar
4-Bromo-2-fluorobenzonitrile105942-08-356 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
4-Fluoro-2-methylbenzonitrile147754-12-9
3-Fluoro-4-methylbenzonitrile170572-49-3
3-Fluoro-2-methylbenzonitrile185147-06-2
4-Fluoro-3-methylbenzonitrile185147-08-4
2-Fluoro-6-methylbenzonitrile198633-76-0
3-Fluoro-5-methylbenzonitrile216976-30-6
2-Fluorobenzeneacetonitrile326-62-5
4-Fluoroindole387-43-9