2-(Acetyloxy)acetyl chloride

C₄H₅ClO₃CAS 13831-31-7136.53 g/mol

Open in Covalent MOL file

Acyl halide Ester

Properties

Molecular formula: C₄H₅ClO₃
Molar mass: 136.53 g/mol
Exact mass: 135.9927 Da
Melting point: 159–160 °C
Boiling point: 55 °C (at 12 Torr)
logP: 0.31Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

13831-31-7

SMILES

CC(=O)OCC(=O)Cl

InChIKey

HZDNNJABYXNPPV-UHFFFAOYSA-N

InChI

InChI=1S/C4H5ClO3/c1-3(6)8-2-4(5)7/h2H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names

(Chlorocarbonyl)methyl acetate
Acetyl chloride, 2-(acetyloxy)-
Glycoloyl chloride, acetate
Acetyl chloride, (acetyloxy)-
Acetoxyacetyl chloride
Acetylglycoloyl chloride
2-Acetoxyacetyl chloride
(Acetyloxy)acetyl chloride
α-Acetoxyacetyl chloride
Acetic acid (chlorocarbonyl)methyl ester
2-Chloro-2-oxoethyl acetate

Work with 2-(Acetyloxy)acetyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(Acetyloxy)-2-propanone592-20-154 % similar Acetoxyacetic acid13831-30-652 % similar 1-(Acetyloxy)-3-chloro-2-propanone40235-68-552 % similar Glycol diacetate111-55-750 % similar cis-1,4-Diacetoxy-2-butene25260-60-050 % similar Methoxyacetyl chloride38870-89-250 % similar Methallyl acetate820-71-350 % similar 2-Ethoxyacetyl chloride14077-58-846 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 3-chloro-3-oxopropanoate37517-81-0 Ethyl oxalyl chloride4755-77-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook