Ethyl 3-chloropropionate
Properties
- Molecular formula
- C5H9ClO2
- Molar mass
- 136.57 g/mol
- Exact mass
- 136.0291 Da
- Density
- 1.1141 g/mL (at 15 °C)
- Boiling point
- 162 °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 irritation95.6% of notifiers
Aggregated from 45 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
623-71-2SMILES
CCOC(=O)CCClInChIKey
ZCLGVXACCAZJOX-UHFFFAOYSA-NInChI
InChI=1S/C5H9ClO2/c1-2-8-5(7)3-4-6/h2-4H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Propanoic acid, 3-chloro-, ethyl ester
- Propionic acid, 3-chloro-, ethyl ester
- Ethyl 3-chloropropanoate
- Ethyl β-chloropropionate
- 3-Chloropropionic acid ethyl ester
- NSC 8845
Work with Ethyl 3-chloropropionate
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 4-chlorobutyrate3153-36-477 % similar
Diethyl succinate123-25-170 % similar
Diethyl glutarate818-38-267 % similar
Diethyl adipate141-28-664 % similar
Ethyl chloroacetate105-39-562 % similar
Ethyl butyrate105-54-462 % similar
Diethyl sebacate110-40-762 % similar
Diethyl pimelate2050-20-662 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.