chempirical

Ethyl 3-chloro-3-oxopropanoate

C5H7ClO3CAS 36239-09-5150.56 g/mol

Open in Covalent MOL file
OOOCl
Acyl halideEster

Properties

Molecular formula
C5H7ClO3
Molar mass
150.56 g/mol
Exact mass
150.0084 Da
Boiling point
60 °C (at 7 Torr)
logP
0.70Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)

Aggregated from 55 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
36239-09-5
SMILES
CCOC(=O)CC(=O)Cl
InChIKey
KWFADUNOPOSMIJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H7ClO3/c1-2-9-5(8)3-4(6)7/h2-3H2,1H3

Weigh it out

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Names and synonyms

25 names · show all
  • Propanoic acid, 3-chloro-3-oxo-, ethyl ester
  • Acetic acid, (chloroformyl)-, ethyl ester
  • (Chloroformyl)acetic acid ethyl ester
  • Carbethoxyethanoyl chloride
  • Ethyl (chloroformyl)acetate
  • Malonic acid monoethyl ester chloride
  • (Ethoxycarbonyl)acetyl chloride
  • Carbethoxyacetyl chloride
  • Ethyl (chlorocarbonyl)acetate
  • Ethyl malonoyl chloride
  • Ethyl malonyl chloride
  • 2-(Ethoxycarbonyl)acetyl chloride
  • Malonic ethyl ester chloride
  • Malonic chloride ethyl ester
  • Malonic acid chloride ethyl ester
  • Malonic acid ethyl ester chloride
  • Monoethyl malonyl chloride
  • Ethyl 3-chloro-3-oxopropionate
  • Ethoxymalonyl chloride
  • Malonic acid chloride monoethyl ester
  • Ethyl 3-oxo-3-chloropropanoate
  • 3-Chloro-3-oxopropanoic acid ethyl ester
  • Carboethoxyacetyl chloride
  • (Chlorocarbonyl)acetic acid ethyl ester
  • 3-Ethoxy-3-oxopropanoyl chloride

Work with Ethyl 3-chloro-3-oxopropanoate

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

Ethyl succinyl chloride14794-31-168 % similar Diethyl malonate105-53-367 % similar Ethyl 4-(chloroformyl)butyrate5205-39-066 % similar Diethyl 1,3-acetonedicarboxylate105-50-059 % similar Methyl 3-chloro-3-oxopropanoate37517-81-057 % similar Ethyl acetoacetate141-97-955 % similar Ethyl 4-chloroacetoacetate638-07-355 % similar Diethyl succinate123-25-154 % similar

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

Same formula

Methyl succinyl chloride1490-25-1 Methyl 4-chloroacetoacetate32807-28-6 Ethyl 2-chloro-3-oxopropanoate33142-21-1 (S)-(-)-2-Acetoxypropionyl chloride36394-75-9 1-(Acetyloxy)-3-chloro-2-propanone40235-68-5 Methyl 2-chloroacetoacetate4755-81-1

Elsewhere

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