2-Fluorobenzaldehyde
Properties
- Molecular formula
- C7H5FO
- Molar mass
- 124.11 g/mol
- Exact mass
- 124.0324 Da
- Melting point
- −44.5 °C
- Boiling point
- 175 °C
- logP
- 1.64Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation98.1% of notifiers
- H335 May cause respiratory irritation96.2% of notifiers
Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
446-52-6SMILES
O=Cc1ccccc1FInChIKey
ZWDVQMVZZYIAHO-UHFFFAOYSA-NInChI
InChI=1S/C7H5FO/c8-7-4-2-1-3-6(7)5-9/h1-5HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzaldehyde, 2-fluoro-
- NSC 66829
- Benzaldehyde, o-fluoro-
- o-Fluorobenzaldehyde
Work with 2-Fluorobenzaldehyde
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
2′-Fluoro[1,1′-biphenyl]-2-carboxaldehyde223575-95-969 % similar
2,3-Difluorobenzaldehyde2646-91-565 % similar
2-Chloro-3-fluorobenzaldehyde96516-31-363 % similar
Phthalaldehyde643-79-862 % similar
3-Fluoro-2-methylbenzaldehyde147624-13-361 % similar
3-Fluorosalicylaldehyde394-50-361 % similar
2-Bromo-3-fluorobenzaldehyde891180-59-961 % similar
2,6-Difluorobenzaldehyde437-81-056 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.