8.01804

Benzoyl chloride

for synthesis

• Synonym(s): Benzoyl chloride, Benzoic acid chloride
• Empirical Formula (Hill Notation): C₇H₅ClO
• CAS Number: 98-88-4
• Molecular Weight: 140.57
• UNSPSC Code: 12352106
• EC Index Number: 202-710-8
• NACRES: NA.22
• MDL number: MFCD00000653
• Assay: ≥99.0% (GC)
• Form: liquid

Properties

• 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
• vapor pressure: 0.5 hPa ( 20 °C)
• assay: ≥99.0% (GC)
• form: liquid
• autoignition temp.: 600 °C
• potency: 2460 mg/kg LD₅₀, oral (Rat), 790 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 2.5-27 % (v/v)
• pH: 2 (20 °C, 1 g/L in H₂O)
• bp: 197.2 °C/1013 hPa
• mp: -0.6 °C
• transition temp: flash point 93 °C
• density: 1.21 g/cm³ at 20 °C
• storage temp.: 2-30°C
• Quality Level: 200

Description

Application

• Analysis of different analyte classes: A systematic evaluation of benzoylation for liquid chromatography-mass spectrometry demonstrated its application in analyzing various analyte classes, enhancing detection sensitivity and specificity (Lenhart et al., 2024).
• Biogenic amine extraction in fish samples: PEG-modified halloysite was employed as a hydrophilic interaction and cation exchange mixed-mode sorbent for solid-phase extraction of biogenic amines, where benzoyl chloride played a critical role in derivatization, improving recovery and selectivity (Wang et al., 2023).

Analysis Note

Assay (GC, area%): ≥ 99.0 % (a/a)
Density (d 20 °C/ 4 °C): 1.210 - 1.214
Identity (IR): passes test

Safety Information

• pictograms: GHS05,GHS06
• signalword: Danger
• hcodes: H302 + H312 - H314 - H317 - H331
• pcodes: 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: 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