3-Fluoro-2-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
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H335 May cause respiratory irritation28.6% of notifiers
Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
185147-06-2SMILES
CC1=C(C=CC=C1F)C#NInChIKey
DMQFTNHJWVKVGE-UHFFFAOYSA-NInChI
InChI=1S/C8H6FN/c1-6-7(5-10)3-2-4-8(6)9/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Fluoro-2-methylbenzonitrile
Similar compounds
2-Fluorobenzonitrile394-47-863 % similar
2-Chloro-4-fluoro-3-methylbenzonitrile796600-15-261 % similar
2,3-Difluorobenzonitrile21524-39-060 % similar
2,3-Dimethylbenzonitrile5724-56-160 % similar
3-Fluoro-1,2-benzenedicarbonitrile65610-13-160 % similar
2,4-Difluoro-3-methylbenzonitrile847502-87-859 % similar
3-Bromo-2-methylbenzonitrile52780-15-158 % similar
3-Chloro-2-methylbenzonitrile54454-12-558 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.