5-Chloropentyl acetate

C7H13ClO2CAS 20395-28-2164.63 g/mol

Open in Covalent MOL file
OOCl
Alkyl halideEster

Properties

Molecular formula
C7H13ClO2
Molar mass
164.63 g/mol
Exact mass
164.0604 Da
Density
1.0648 g/mL (at 20 °C)
Boiling point
103 °C (at 18 Torr)
logP
1.96Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
20395-28-2
SMILES
CC(=O)OCCCCCCl
InChIKey
ZCYVIAZIVJNAMO-UHFFFAOYSA-N
InChI
InChI=1S/C7H13ClO2/c1-7(9)10-6-4-2-3-5-8/h2-6H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • 1-Pentanol, 5-chloro-, 1-acetate
  • 1-Pentanol, 5-chloro-, acetate
  • 5-Chloro-1-amyl acetate
  • 5-Chloro-1-acetoxypentane
  • 5-Chloro-1-pentanol acetate
  • 5-Chloro-1-pentyl acetate
  • 1-Acetoxy-5-chloropentane
  • NSC 76003

Work with 5-Chloropentyl acetate

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

4-Chlorobutyl acetate6962-92-196 % similar 3-Chloropropyl acetate628-09-184 % similar Hexylene glycol diacetate6222-17-975 % similar 1,5-Diacetoxypentane6963-44-675 % similar Butylene glycol diacetate628-67-171 % similar 1,3-Diacetoxypropane628-66-064 % similar Heptyl acetate112-06-162 % similar Octyl acetate112-14-162 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Hexyl chloroformate6092-54-2 Isobutyl (S)-2-chloropropionate83261-15-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook