Methyl 4-cyano-3-fluorobenzoate
Properties
- Molecular formula
- C9H6FNO2
- Molar mass
- 179.15 g/mol
- Exact mass
- 179.0383 Da
- logP
- 1.48Crippen estimate
- Polar surface area
- 50.1 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 1
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled50% of notifiers
- H302 Harmful if swallowed50% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 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
268734-34-5SMILES
COC(=O)C1=CC(=C(C=C1)C#N)FInChIKey
AHJLHWRWDRCIKO-UHFFFAOYSA-NInChI
InChI=1S/C9H6FNO2/c1-13-9(12)6-2-3-7(5-11)8(10)4-6/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with Methyl 4-cyano-3-fluorobenzoate
Similar compounds
Methyl 3,4-difluorobenzoate369-25-565 % similar
Methyl 3-cyano-4-methoxybenzoate25978-74-962 % similar
Dimethyl 2-fluoroterephthalate5292-47-762 % similar
4-Cyano-3-fluorobenzoic acid176508-81-959 % similar
Methyl-4-amino-3-fluorobenzoate185629-32-759 % similar
Methyl 3-fluoro-4-hydroxybenzoate403-01-059 % similar
Methyl 4-cyanobenzoate1129-35-756 % similar
Methyl m-cyanobenzoate13531-48-155 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds