chempirical

Methyl 4-(chloroformyl)butyrate

C6H9ClO3CAS 1501-26-4164.59 g/mol

Open in Covalent MOL file
OOOCl
Acyl halideEster

Properties

Molecular formula
C6H9ClO3
Molar mass
164.59 g/mol
Exact mass
164.0240 Da
Boiling point
110 °C (at 30 Torr)
logP
1.10Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
1501-26-4
SMILES
COC(=O)CCCC(=O)Cl
InChIKey
JCAZSWWHFJVFPP-UHFFFAOYSA-N
InChI
InChI=1S/C6H9ClO3/c1-10-6(9)4-2-3-5(7)8/h2-4H2,1H3

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

Names and synonyms

21 names · show all
  • Pentanoic acid, 5-chloro-5-oxo-, methyl ester
  • Butyric acid, 4-(chloroformyl)-, methyl ester
  • Methyl glutaryl chloride
  • γ-(Carbomethoxy)butyryl chloride
  • 4-(Methoxycarbonyl)butyryl chloride
  • Glutaryl chloride methyl ester
  • 4-(Carbomethoxy)butyryl chloride
  • Methyl 4-(chloroformyl)butanoate
  • 4-(Carbomethoxy)butanoyl chloride
  • Methyl 5-chloro-5-oxopentanoate
  • Methyl glutaroyl chloride
  • Monomethyl glutaryl chloride
  • Glutaric acid monomethyl ester chloride
  • 5-Chloro-5-oxopentanoic acid methyl ester
  • Methyl 5-chloro-5-oxovalerate
  • NSC 93892
  • 4-(Chlorocarbonyl)butanoic acid methyl ester
  • 4-Chlorocarbonylbutyric acid methyl ester
  • Methyl 4-(chlorocarbonyl)butanoate
  • 4-(Chloroformyl)butyric acid methyl ester
  • 5-Methoxy-5-oxopentanoyl chloride

Work with Methyl 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

Methyl adipoyl chloride35444-44-196 % similar Dimethyl glutarate1119-40-070 % similar Dimethyl adipate627-93-067 % similar Dimethyl sebacate106-79-664 % similar 1,12-Dimethyl dodecanedioate1731-79-964 % similar Dimethyl pimelate1732-08-764 % similar Dimethyl suberate1732-09-864 % similar Dimethyl azelate1732-10-164 % similar

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

Same formula

Ethyl succinyl chloride14794-31-1 2-(Acetyloxy)-2-methylpropanoyl chloride40635-66-3 Ethyl 2-chloroacetoacetate609-15-4 Ethyl 4-chloroacetoacetate638-07-3 Methyl 4-chloro-3-methoxycrotonate85153-60-2

Elsewhere

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