2-(Acetyloxy)acetyl chloride

C4H5ClO3CAS 13831-31-7136.53 g/mol

Open in Covalent MOL file
OOOCl
Acyl halideEster

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 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, P501

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

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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

1,3-Diacetoxyacetone6946-10-756 % similar 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

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