(+)-Methyl 2-chloropropionate

C₄H₇ClO₂CAS 77287-29-7122.55 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: Rin SMILES atom order

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

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

77287-29-7

SMILES

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

InChIKey

JLEJCNOTNLZCHQ-GSVOUGTGSA-N

InChI

InChI=1S/C4H7ClO2/c1-3(5)4(6)7-2/h3H,1-2H3/t3-/m1/s1

Weigh it out

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

Names and synonyms

11 names

Methyl 2-chloropropanoate, (R)-
Propanoic acid, 2-chloro-, methyl ester, (2R)-
Propanoic acid, 2-chloro-, methyl ester, (R)-
Methyl (R)-2-chloropropionate
(R)-2-Chloropropionic acid methyl ester
(+)-Methyl α-chloropropionate
(+)-2-Chloropropionic acid methyl ester
(+)-Methyl 2-chloropropanoate
(R)-2-Chloropropanoic acid methyl ester
(R)-(+)-Methyl 2-chloropropionate
Methyl (R)-(+)-2-chloropropionate

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-chloropropionate73246-45-4Enantiomer 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