chempirical

Ethyl 3-chloropropionate

C5H9ClO2CAS 623-71-2136.57 g/mol

Open in Covalent MOL file
OOCl
Alkyl halideEster

Properties

Molecular formula
C5H9ClO2
Molar mass
136.57 g/mol
Exact mass
136.0291 Da
Density
1.1141 g/mL (at 15 °C)
Boiling point
162 °C
logP
1.18Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
623-71-2
SMILES
CCOC(=O)CCCl
InChIKey
ZCLGVXACCAZJOX-UHFFFAOYSA-N
InChI
InChI=1S/C5H9ClO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Propanoic acid, 3-chloro-, ethyl ester
  • Propionic acid, 3-chloro-, ethyl ester
  • Ethyl 3-chloropropanoate
  • Ethyl β-chloropropionate
  • 3-Chloropropionic acid ethyl ester
  • NSC 8845

Work with Ethyl 3-chloropropionate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 4-chlorobutyrate3153-36-477 % similar Diethyl glutarate818-38-267 % similar Ethyl chloroacetate105-39-562 % similar Ethyl butyrate105-54-462 % similar Diethyl sebacate110-40-762 % similar Diethyl pimelate2050-20-662 % similar Diethyl suberate2050-23-962 % similar Diethyl azelate624-17-962 % similar

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

Same formula

Isopropyl chloroacetate105-48-6 5-Chloropentanoic acid1119-46-6 3-Chloro-2,2-dimethylpropanoic acid13511-38-1 1-Methylpropyl carbonochloridate17462-58-7 (2S)-2-Chloro-3-methylbutanoic acid26782-74-1 Methyl 4-chlorobutyrate3153-37-5 Ethyl 2-chloropropionate535-13-7 Isobutyl chloroformate543-27-1

Elsewhere

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