Methyl 2-fluorobenzoate
Properties
- Molecular formula
- C8H7FO2
- Molar mass
- 154.14 g/mol
- Exact mass
- 154.0430 Da
- Melting point
- −20 °C
- Boiling point
- 207 °C
- logP
- 1.61Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
394-35-4SMILES
COC(=O)c1ccccc1FInChIKey
QAFJIJWLEBLXHH-UHFFFAOYSA-NInChI
InChI=1S/C8H7FO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzoic acid, 2-fluoro-, methyl ester
- Benzoic acid, o-fluoro-, methyl ester
- Methyl o-fluorobenzoate
- 2-Fluorobenzoic acid methyl ester
- NSC 96624
Work with Methyl 2-fluorobenzoate
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Dimethyl phthalate131-11-370 % similar
Methyl 2,6-difluorobenzoate13671-00-665 % similar
Methyl 2,4-difluorobenzoate106614-28-262 % similar
Ethyl o-fluorobenzoate443-26-562 % similar
Dimethyl 2-fluoroterephthalate5292-47-762 % similar
Methyl 2-bromobenzoate610-94-659 % similar
Methyl 2-methylbenzoate89-71-459 % similar
4-Bromo-2-fluoro-benzoic acid methyl ester179232-29-258 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
2-Fluoro-3-methoxybenzaldehyde103438-88-6
2-Fluoro-5-methoxybenzaldehyde105728-90-3
4-Fluoro-3-methoxybenzaldehyde128495-46-5
2-Fluoro-6-methoxybenzaldehyde146137-74-8
4'-Fluoro-2'-hydroxyacetophenone1481-27-2
Fluorophenylacetic acid1578-63-8
5-Fluoro-2-methoxybenzaldehyde19415-51-1
2-Fluoro-3-methylbenzoic acid315-31-1