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Merck
CN

00990

Acetyl chloride

≥99.0% (T), liquid, puriss. p.a.

Synonym(s):

Acetic acid chloride, Acetic chloride, Ethanoyl chloride

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About This Item

Linear Formula:
CH3COCl
CAS Number:
Molecular Weight:
78.50
NACRES:
NA.21
PubChem Substance ID:
eCl@ss:
39050501
UNSPSC Code:
12352100
EC Number:
200-865-6
MDL number:
Beilstein/REAXYS Number:
605303
Assay:
≥99.0% (T)
Form:
liquid
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Product Name

Acetyl chloride, puriss. p.a., ≥99.0% (T)

vapor density

2.7 (vs air)

Quality Segment

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

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

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.


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Pictograms

FlameCorrosion

Signal Word

Danger

Hazard Codes

Hazard Classifications

Eye Dam. 1 - Flam. Liq. 2 - Skin Corr. 1B

supp_hazards

Storage Class

3 - Flammable liquids

WGK

WGK 1

Flash Point (°F)

41.0 °F - closed cup

Flash Point (°C)

5 °C - closed cup

PPE (personal protective equipment)

Faceshields, Gloves, Goggles



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