3-Chloropropyl acetate
Properties
- Molecular formula
- C5H9ClO2
- Molar mass
- 136.58 g/mol
- Exact mass
- 136.0291 Da
- Density
- 1.115 g/mL (at 20 °C)
- Boiling point
- 164 °C
- logP
- 1.18Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
628-09-1SMILES
CC(=O)OCCCClInChIKey
KPOHQIPNNIMWRL-UHFFFAOYSA-NInChI
InChI=1S/C5H9ClO2/c1-5(7)8-4-2-3-6/h2-4H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- 1-Propanol, 3-chloro-, 1-acetate
- 1-Propanol, 3-chloro-, acetate
- γ-Chloropropyl acetate
- 3-Acetoxypropyl chloride
- 3-Chloro-1-propyl acetate
- Acetic acid 3-chloropropyl ester
Reactions
Work with 3-Chloropropyl 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
4-Chlorobutyl acetate6962-92-188 % similar
5-Chloropentyl acetate20395-28-284 % similar
1,3-Diacetoxypropane628-66-070 % similar
Butylene glycol diacetate628-67-170 % similar
Hexylene glycol diacetate6222-17-967 % similar
1,5-Diacetoxypentane6963-44-667 % similar
Glycol diacetate111-55-761 % similar
Butyl acetate123-86-459 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds