chempirical

Ethyl 4-chlorobutyrate

C6H11ClO2CAS 3153-36-4150.60 g/mol

Open in Covalent MOL file
OOCl
Alkyl halideEster

Properties

Molecular formula
C6H11ClO2
Molar mass
150.60 g/mol
Exact mass
150.0448 Da
Boiling point
184 °C
logP
1.57Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 58 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3153-36-4
SMILES
CCOC(=O)CCCCl
InChIKey
OPXNFHAILOHHFO-UHFFFAOYSA-N
InChI
InChI=1S/C6H11ClO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3

Weigh it out

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Names and synonyms

7 names
  • Butanoic acid, 4-chloro-, ethyl ester
  • Butyric acid, 4-chloro-, ethyl ester
  • Ethyl 4-chlorobutanoate
  • Ethyl γ-chlorobutyrate
  • Ethyl ω-chlorobutyrate
  • 4-Chlorobutyric acid ethyl ester
  • NSC 81215

Work with Ethyl 4-chlorobutyrate

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 3-chloropropionate623-71-277 % similar Diethyl glutarate818-38-275 % similar Diethyl adipate141-28-672 % similar Diethyl sebacate110-40-769 % similar Diethyl pimelate2050-20-669 % similar Diethyl suberate2050-23-969 % similar Diethyl azelate624-17-969 % similar Ethyl pentanoate539-82-264 % similar

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

Same formula

tert-Butyl chloroacetate107-59-5 Methyl 5-chloropentanoate14273-86-0 Chloromethyl pivalate18797-19-8 Chloromethyl pivalate18997-19-8 (S)-2-Chloro-4-methyl-N-valeric acid28659-81-6 6-Chlorohexanoic acid4224-62-8 4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane4362-40-7 (R)-(+)-4-Chloromethyl-2,2-dimethyl-1,3-dioxolane57044-24-3

Elsewhere

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