3-Fluoro-5-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 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
- H319 Causes serious eye irritation83.3% of notifiers
- H332 Harmful if inhaled83.3% of notifiers
- H335 May cause respiratory irritation16.7% 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, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
216976-30-6SMILES
CC1=CC(=CC(=C1)F)C#NInChIKey
GKUQCZSZQBEHCP-UHFFFAOYSA-NInChI
InChI=1S/C8H6FN/c1-6-2-7(5-10)4-8(9)3-6/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Fluoro-5-methylbenzonitrile
Similar compounds
3,5-Dimethylbenzonitrile22445-42-768 % similar
5-Methylisophthalonitrile39718-07-568 % similar
3,5-Dicyanofluorobenzene453565-55-468 % similar
3,5-Difluorobenzonitrile64248-63-168 % similar
3,5-Difluorotoluene117358-51-756 % similar
5-Fluoro-M-xylene461-97-256 % similar
3-Bromo-5-fluorobenzonitrile179898-34-155 % similar
3-Amino-5-fluorobenzonitrile210992-28-255 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.