Benzoyl fluoride

C7H5FOCAS 455-32-3124.11 g/mol

Open in Covalent MOL file
OF
Acyl halide

Properties

Molecular formula
C7H5FO
Molar mass
124.11 g/mol
Exact mass
124.0324 Da
Density
1.155 g/mL (at 18 °C)
Melting point
−28 °C
Boiling point
154.5 °C
logP
1.80Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number
455-32-3
SMILES
O=C(F)c1ccccc1
InChIKey
HPMLGNIUXVXALD-UHFFFAOYSA-N
InChI
InChI=1S/C7H5FO/c8-7(9)6-4-2-1-3-5-6/h1-5H

Weigh it out

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

Reactions

Work with Benzoyl fluoride

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-(Trifluoromethyl)benzoyl fluoride368-94-552 % similar Benzophenone119-61-950 % similar Benzil134-81-650 % similar 3-(Trifluoromethyl)benzoyl fluoride328-99-450 % similar 1,4-Dibenzoylbenzene3016-97-548 % similar 1,4-Bis(phenylglyoxaloyl)benzene3363-97-148 % similar Benzoyl bromide618-32-646 % similar 2,2,2-Trifluoro-1-phenylethanone434-45-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluorobenzaldehyde446-52-6 3-Fluorobenzaldehyde456-48-4 4-Fluorobenzaldehyde459-57-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook