(-)-Methyl 2-chloropropionate

C₄H₇ClO₂CAS 73246-45-4122.55 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₄H₇ClO₂
Molar mass: 122.55 g/mol
Exact mass: 122.0135 Da
logP: 0.79Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

H226 Flammable liquid and vaporFlammable liquids
H319 Causes serious eye irritationSerious eye damage/eye irritation
H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure

Harmonised EU classification (CLP Annex VI, index 607-321-00-0), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264+P265, P280, P303+P361+P353, P305+P351+P338, P319, P337+P317, P370+P378, P403+P235, P501

Identifiers

CAS number

73246-45-4

SMILES

COC(=O)[C@H](C)Cl

InChIKey

JLEJCNOTNLZCHQ-VKHMYHEASA-N

InChI

InChI=1S/C4H7ClO2/c1-3(5)4(6)7-2/h3H,1-2H3/t3-/m0/s1

Weigh it out

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

Names and synonyms

16 names · show all

Methyl 2-chloropropanoate, (S)-
Propanoic acid, 2-chloro-, methyl ester, (2S)-
Propanoic acid, 2-chloro-, methyl ester, (S)-
Methyl L-(-)-2-chloropropionate
Methyl l-α-chloropropionate
(S)-(-)-2-Chloropropionic acid methyl ester
Methyl (S)-α-chloropropionate
(S)-2-Chloropropionic acid methyl ester
L-α-Chloropropionic acid methyl ester
Methyl (S)-(-)-2-chloropropionate
(-)-Methyl α-chloropropionate
(S)-Methyl 2-chloropropionate
(-)-2-Chloropropionic acid methyl ester
(-)-Methyl 2-chloropropanoate
(S)-2-Chloropropanoic acid methyl ester
Methyl (S)-2-chloropropanoate

Work with (-)-Methyl 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 Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(+)-Methyl 2-chloropropionate77287-29-7Enantiomer Methyl 2-chloropropionate17639-93-9Stereo not defined

Similar compounds

Methyl dichloroacetate116-54-158 % similar Dimethyl chloromalonate28868-76-058 % similar Methyl isobutyrate547-63-754 % similar Dimethyl methylmalonate609-02-954 % similar Ethyl 2-chloropropionate535-13-754 % similar Isobutyl (S)-2-chloropropionate83261-15-852 % similar Methyl 2,3-dichloropropanoate3674-09-748 % similar Methyl 2-chloroacetoacetate4755-81-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl chloroacetate105-39-5 Isopropyl chloroformate108-23-6 Propyl chloroformate109-61-5 2-Ethoxyacetyl chloride14077-58-8 2-(Chloromethyl)-1,3-dioxolane2568-30-1 (S)-2-Chloro-N-butyric acid32653-32-0 2-Chlorobutanoic acid4170-24-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook