3-Fluorobenzaldehyde

C7H5FOCAS 456-48-4124.11 g/mol

Open in Covalent MOL file
OF
AldehydeAryl halide

Properties

Molecular formula
C7H5FO
Molar mass
124.11 g/mol
Exact mass
124.0324 Da
Density
1.7156 g/mL (at 20 °C)
Melting point
150–151 °C
Boiling point
173 °C
logP
1.64Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 51 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, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
456-48-4
SMILES
O=Cc1cccc(F)c1
InChIKey
PIKNVEVCWAAOMJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5FO/c8-7-3-1-2-6(4-7)5-9/h1-5H

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names
  • Benzaldehyde, 3-fluoro-
  • Benzaldehyde, m-fluoro-
  • m-Fluorobenzaldehyde
  • 3-Fluorobenzenecarboxaldehyde
  • NSC 66830
  • 3-Fluorophenylcarboxaldehyde

Work with 3-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

3-(3-Fluorophenyl)benzaldehyde400750-09-677 % similar Isophthalaldehyde626-19-768 % similar 3-(4-Fluorophenyl)benzaldehyde164334-74-166 % similar 3,5-Difluorobenzaldehyde32085-88-463 % similar 3'-Fluoro-[1,1'-biphenyl]-4-carbaldehyde400750-63-262 % similar 3,4-Difluorobenzaldehyde34036-07-256 % similar 3-Fluorostyrene350-51-656 % similar 3-Chlorobenzaldehyde587-04-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluorobenzaldehyde446-52-6 Benzoyl fluoride455-32-3 4-Fluorobenzaldehyde459-57-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook