B12695

Benzoyl chloride

ReagentPlus^®, ≥99%

• Synonym(s): Benzoic acid chloride, alpha-chlorobenzaldehyde
• Linear Formula: C₆H₅COCl
• CAS Number: 98-88-4
• Molecular Weight: 140.57
• Beilstein: 471389
• EC Number: 202-710-8
• MDL number: MFCD00000653
• UNSPSC Code: 12352100
• PubChem Substance ID: 24891577
• NACRES: NA.21

Properties

• vapor density: 4.88 (vs air)
• Quality Level: 200
• vapor pressure: 1 mmHg ( 32 °C)
• product line: ReagentPlus^®
• Assay: ≥99%
• form: liquid
• autoignition temp.: 1056 °F
• expl. lim.: 4.9 %
• refractive index: n20/D 1.553 (lit.)
• bp: 198 °C (lit.)
• mp: −1 °C (lit.)
• density: 1.211 g/mL at 25 °C (lit.)
• SMILES string: ClC(=O)c1ccccc1
• InChI: 1S/C7H5ClO/c8-7(9)6-4-2-1-3-5-6/h1-5H
• InChI key: PASDCCFISLVPSO-UHFFFAOYSA-N

Description

General description

Benzoyl chloride, an acid chloride, is a commonly used benzoylating agent. The arylation of 1,1- and 1,2-disubstituted activated alkenes using benzoyl chloride in the presence of palladium catalyst has been investigated.

Application

Benzoyl chloride may be used to synthesize:

• 4-Methoxybenzophenone via acylation of anisole in the presence of cesium-substituted dodecatungstophosphoric acid (Cs_2.5H_0.5PW₁₂O₄₀) supported on K-10 clay.
• Benzoylamino acids via acylation of amino acids in the presence of diisopropylethylamine.
• p-, o-, m-Methylbenzophenones via benzoylation of toluene in the presence of Al-promoted sulfated zirconia catalysts.

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• Pictograms: GHS06,GHS05
• Signal Word: Danger
• Hazard Statements: H302 + H312,H314,H317,H331
• Precautionary Statements: P261 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Inhalation - Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1B - Skin Sens. 1
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 1
• Flash Point(F): 161.6 °F - closed cup
• Flash Point(C): 72 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves