00990

Acetyl chloride

puriss. p.a., ≥99.0% (T)

• Synonym(s): Acetic acid chloride, Acetic chloride, Ethanoyl chloride
• Linear Formula: CH₃COCl
• CAS Number: 75-36-5
• Molecular Weight: 78.50
• Beilstein: 605303
• EC Number: 200-865-6
• MDL number: MFCD00000719
• UNSPSC Code: 12352100
• eCl@ss: 39050501
• PubChem Substance ID: 329747174
• NACRES: NA.21

Properties

• vapor density: 2.7 (vs air)
• Quality Level: 200
• vapor pressure: 11.69 psi ( 20 °C); 32.33 psi ( 55 °C)
• grade: puriss. p.a.
• Assay: ≥99.0% (T)
• form: liquid
• autoignition temp.: 1353 °F
• expl. lim.: 19 %
• refractive index: n20/D 1.389 (lit.); n20/D 1.389
• bp: 52 °C (lit.)
• mp: −112 °C (lit.)
• density: 1.104 g/mL at 25 °C (lit.)
• cation traces: Al: ≤0.5 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.1 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.5 mg/kg; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• functional group: acyl chloride
• SMILES string: CC(Cl)=O
• InChI: 1S/C2H3ClO/c1-2(3)4/h1H3
• InChI key: WETWJCDKMRHUPV-UHFFFAOYSA-N

Description

General description

Acetyl chloride (acyl chloride) is an acetylation reagent used in esterification and Friedel-Crafts acylation reactions.

Application

Acetyl chloride can be used as:

• A degradation agent in the degradation of polyoxyethylene glycol monoalkyl ethers to determine the degree of ethoxylation using chromatography-mass spectrometry (MS).
• A reagent with alcohols for the esterification of carboxylic acids, N-boc deprotection, and phosphoramide solvolysis reactions.

Safety Information

• Pictograms: GHS02,GHS05
• Signal Word: Danger
• Hazard Statements: H225,H314
• Precautionary Statements: P210 - P233 - P240 - P280 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Eye Dam. 1 - Flam. Liq. 2 - Skin Corr. 1B
• Supplementary Hazards: EUH014
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 1
• Flash Point(F): 41.0 °F - closed cup
• Flash Point(C): 5 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves