Ethyl 4-(chloroformyl)butyrate

C7H11ClO3CAS 5205-39-0178.61 g/mol

Open in Covalent MOL file
OOOCl
Acyl halideEster

Properties

Molecular formula
C7H11ClO3
Molar mass
178.61 g/mol
Exact mass
178.0397 Da
Boiling point
110 °C (at 20 Torr)
logP
1.49Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Hazards

Danger
Corrosive (GHS05)

Aggregated from 41 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
5205-39-0
SMILES
CCOC(=O)CCCC(=O)Cl
InChIKey
KKJAQUGGQMCNJY-UHFFFAOYSA-N
InChI
InChI=1S/C7H11ClO3/c1-2-11-7(10)5-3-4-6(8)9/h2-5H2,1H3

Weigh it out

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

Names and synonyms

13 names · show all
  • Pentanoic acid, 5-chloro-5-oxo-, ethyl ester
  • Butyric acid, 4-(chloroformyl)-, ethyl ester
  • γ-Carbethoxybutyryl chloride
  • Ethyl 4-(chloroformyl)butanoate
  • Glutaric acid ethyl ester chloride
  • Ethyl glutaroyl chloride
  • Ethyl glutaric acid chloride
  • NSC 249814
  • Ethyl 5-chloro-5-oxopentanoate
  • Ethyl glutaryl chloride
  • 5-Chloro-5-oxopentanoic acid ethyl ester
  • 4-Chlorocarbonylbutyric acid ethyl ester
  • Ethyl 5-chloro-5-oxovalerate

Work with Ethyl 4-(chloroformyl)butyrate

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 chloride14794-31-181 % similar Diethyl glutarate818-38-272 % similar Diethyl adipate141-28-669 % similar Diethyl sebacate110-40-767 % similar Diethyl pimelate2050-20-667 % similar Diethyl suberate2050-23-967 % similar Diethyl azelate624-17-967 % similar Ethyl 3-chloro-3-oxopropanoate36239-09-566 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl adipoyl chloride35444-44-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook