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00990

Sigma-Aldrich

Acetyl chloride

puriss. p.a., ≥99.0% (T)

Synonym(s):

Acetic acid chloride, Acetic chloride, Ethanoyl chloride

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$226.00

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100 ML
$55.80
250 ML
$93.60
1 L
$226.00

About This Item

Linear Formula:
CH3COCl
CAS Number:
Molecular Weight:
78.50
Beilstein/REAXYS Number:
605303
EC Number:
MDL number:
UNSPSC Code:
12352100
eCl@ss:
39050501
PubChem Substance ID:
NACRES:
NA.21

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vapor density

2.7 (vs air)

Quality Level

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

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General description

Acetyl chloride (acyl chloride) is an acetylation reagent used in esterification and Friedel-Crafts acylation reactions.[1][2]

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).[1]
  • A reagent with alcohols for the esterification of carboxylic acids, N-boc deprotection, and phosphoramide solvolysis reactions.[2]

pictograms

FlameCorrosion

signalword

Danger

hcodes

Hazard Classifications

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

supp_hazards

Storage Class

3 - Flammable liquids

wgk_germany

WGK 1

flash_point_f

41.0 °F - closed cup

flash_point_c

5 °C - closed cup

ppe

Faceshields, Gloves, Goggles


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A rapid and simple method for the esterification of fatty acids and steroid carboxylic acids prior to gas-liquid chromatography
Lillington JM, et al.
Clinica Chimica Acta; International Journal of Clinical Chemistry, 111(1), 91-98 (1981)
Comparisons of O-acylation and Friedel-Crafts acylation of phenols and acyl chlorides and Fries rearrangement of phenyl esters in trifluoromethanesulfonic acid: Effective synthesis of optically active homotyrosines
Murashige R, et al.
Tetrahedron, 67(3), 641-649 (2011)
Uta Ceglarek et al.
Metabolomics : Official journal of the Metabolomic Society, 12(12), 182-182 (2016-11-15)
Sensitive and specific assessment of the hepatic graft metabolism after liver transplantation (LTX) is essential for early detection of postoperative dysfunction implying the need for consecutive therapeutic interventions. Here, we assessed circulating liver metabolites of the cholesterol pathway, amino acids
Jennifer L Frahm et al.
Analytical chemistry, 79(11), 3989-3995 (2007-05-05)
The wide range of protein concentrations found in biological matrixes presents a formidable analytical challenge in proteomics experiments. It is predicted that low-abundance proteins are the likely clinically relevant targets in disease-based proteomics analyses. To effectively analyze low-abundance proteins by
Yu-Ting Liu et al.
The journal of physical chemistry. A, 114(27), 7275-7283 (2010-06-24)
In one-photon dissociation of gaseous acetyl chloride at 248 nm, time-resolved Fourier-transform infrared emission spectroscopy is used to detect the fragments of HCl, CO, and CH(2) in the presence of Ar or O(2). The high-resolution spectra of HCl and CO

Articles

Development and validation of a fatty acid methyl esterification method, using methanolic HCl reagent, for FAME analysis by GC of vegetable oils and fats.

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