4-Fluorobenzaldehyde
Properties
- Molecular formula
- C7H5FO
- Molar mass
- 124.11 g/mol
- Exact mass
- 124.0324 Da
- Melting point
- −10 °C
- Boiling point
- 181.5 °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 vapor82.4% of notifiers
- H302 Harmful if swallowed24.3% of notifiers
- H315 Causes skin irritation74.3% of notifiers
- H319 Causes serious eye irritation90.5% of notifiers
- H335 May cause respiratory irritation70.3% of notifiers
- H411 Toxic to aquatic life with long lasting effects23% of notifiers
Aggregated from 74 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, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
459-57-4SMILES
O=Cc1ccc(F)cc1InChIKey
UOQXIWFBQSVDPP-UHFFFAOYSA-NInChI
InChI=1S/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzaldehyde, 4-fluoro-
- Benzaldehyde, p-fluoro-
- p-Fluorobenzaldehyde
- p-Fluorobenzenecarboxaldehyde
- NSC 68095
Work with 4-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
4'-Fluorobiphenyl-4-carbaldehyde60992-98-586 % similar
4-(4-Fluorophenoxy)benzaldehyde137736-06-275 % similar
1,4-Benzenedicarboxaldehyde623-27-867 % similar
4-[(4-Fluorophenyl)methoxy]benzaldehyde56442-17-260 % similar
3'-Fluoro-[1,1'-biphenyl]-4-carbaldehyde400750-63-257 % similar
[1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-857 % similar
3,5-Difluorobenzaldehyde32085-88-457 % similar
3,4-Difluorobenzaldehyde34036-07-256 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.