Benzoyl chloride

C₇H₅ClOCAS 98-88-4140.57 g/mol

Open in Covalent MOL file

Acyl halide

Properties

Molecular formula: C₇H₅ClO
Molar mass: 140.57 g/mol
Exact mass: 140.0029 Da
Density: 1.207 g/mL (at 25 °C)
Melting point: −1 °C
Boiling point: 197.2 °C
Flash point: 72 °C (closed cup)
logP: 2.07Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H312 Harmful in contact with skinAcute toxicity, dermal
H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H317 May cause an allergic skin reactionSensitization, Skin
H332 Harmful if inhaledAcute toxicity, inhalation

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P260, P261, P264, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

98-88-4

SMILES

O=C(Cl)c1ccccc1

InChIKey

PASDCCFISLVPSO-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClO/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.

Names and synonyms

8 names

Benzaldehyde, α-chloro-
Benzenecarbonyl chloride
Benzoic acid chloride
Phenylcarbonyl chloride
B 0105
Phenylcarboxyl chloride
7-Cyanoheptyl benzoate
Benzoylchloride

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 98-88-4. Each row opens the sheet with its composition and PDF.

Benzoyl chloride > 95 %Fisher Scientific UK · 2023-10-19

Open in the SDS library

Work with Benzoyl chloride

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

[1,1′-Biphenyl]-4-carbonyl chloride14002-51-874 % similar Terephthaloyl chloride100-20-974 % similar Isophthaloyl chloride99-63-868 % similar 4-Phenylazobenzoyl chloride104-24-565 % similar 4,4′-Biphenyldicarbonyl chloride2351-37-364 % similar 3-Methylbenzoyl chloride1711-06-459 % similar Phthaloyl chloride88-95-959 % similar 4-Chlorobenzoyl chloride122-01-058 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Chlorobenzaldehyde104-88-1 3-Chlorobenzaldehyde587-04-2 2-Chlorobenzaldehyde89-98-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia