Ethyl 2-chloropropionate

C5H9ClO2CAS 535-13-7136.57 g/mol

Open in Covalent MOL file
OOCl
Alkyl halideEster

Properties

Molecular formula
C5H9ClO2
Molar mass
136.57 g/mol
Exact mass
136.0291 Da
Boiling point
147 °C
logP
1.18Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 83 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
535-13-7
SMILES
CCOC(=O)C(C)Cl
InChIKey
JEAVBVKAYUCPAQ-UHFFFAOYSA-N
InChI
InChI=1S/C5H9ClO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3

Weigh it out

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Names and synonyms

7 names
  • Propanoic acid, 2-chloro-, ethyl ester
  • Propionic acid, 2-chloro-, ethyl ester
  • Ethyl α-chloropropionate
  • Ethyl 2-chloropropanoate
  • (2RS)-2-Chloropropionic acid ethyl ester
  • 2-Chloropropanoic acid ethyl ester
  • NSC 522671

Work with Ethyl 2-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

1,3-Diethyl 2-chloropropanedioate14064-10-963 % similar Isobutyl (S)-2-chloropropionate83261-15-862 % similar Diethyl methylmalonate609-08-559 % similar Ethyl isobutyrate97-62-159 % similar Ethyl chlorofluoroacetate401-56-959 % similar 1,1,1-Triethyl methanetricarboxylate6279-86-358 % similar 1,3-Diethyl 2-(1-methylethyl)propanedioate759-36-455 % similar Methyl 2-chloropropionate17639-93-954 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isopropyl chloroacetate105-48-6 5-Chloropentanoic acid1119-46-6 Beta-Chloropivalic acid13511-38-1 1-Methylpropyl carbonochloridate17462-58-7 (2S)-2-Chloro-3-methylbutanoic acid26782-74-1 Methyl 4-chlorobutyrate3153-37-5 Chloromethyl butanoate33657-49-7 Isobutyl chloroformate543-27-1

Elsewhere

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