(S)-(-)-2-Acetoxypropionyl chloride

C₅H₇ClO₃CAS 36394-75-9150.56 g/mol

Open in Covalent MOL file

Acyl halide Ester

Properties

Molecular formula: C₅H₇ClO₃
Molar mass: 150.56 g/mol
Exact mass: 150.0084 Da
Boiling point: 58 °C (at 15 Torr)
logP: 0.70Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H317 May cause an allergic skin reactionSensitization, Skin

Harmonised EU classification (CLP Annex VI, index 607-634-00-2), via PubChem.

Precautionary statements

P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

36394-75-9

SMILES

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

InChIKey

ALHZEIINTQJLOT-VKHMYHEASA-N

InChI

InChI=1S/C5H7ClO3/c1-3(5(6)8)9-4(2)7/h3H,1-2H3/t3-/m0/s1

Weigh it out

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

Names and synonyms

17 names · show all

Propanoyl chloride, 2-(acetyloxy)-, (2S)-
(S)-2-(Acetyloxy)propanoyl chloride
Acetic acid (1S)-2-chloro-1-methyl-2-oxoethyl ester
(1S)-2-Chloro-1-methyl-2-oxoethyl acetate
Acetic acid (1S)-1-(chlorocarbonyl)ethyl ester
(S)-1-Chloro-1-oxopropan-2-yl acetate
(S)-2-Acetoxypropionoyl chloride
(2S)-1-Chloro-1-oxopropan-2-yl acetate
(S)-2-Acetyloxypropionyl chloride
2-(S)-Acetoxypropanoyl chloride
(2S)-2-Acetoxypropionyl chloride
Acetic acid (2S)-1-chloro-1-oxopropan-2-yl ester
Propanoyl chloride, 2-(acetyloxy)-, (S)-
(2S)-2-(Acetyloxy)propanoyl chloride
L-α-Acetoxypropionyl chloride
(S)-2-Acetoxypropanoyl chloride
(S)-2-Acetoxypropionyl chloride

Work with (S)-(-)-2-Acetoxypropionyl chloride

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

Similar compounds

Acetoin acetate4906-24-557 % similar (2S)-2-(Acetyloxy)propanoic acid6034-46-453 % similar Isopropyl acetate108-21-448 % similar 2,3-Diacetoxybutane1114-92-748 % similar 1-(Chloroformyl)benzyl acetate1638-63-747 % similar 2-Phenoxypropanoyl chloride122-35-044 % similar 1-Bromoethyl acetate40258-78-443 % similar Isobutyryl chloride79-30-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl succinyl chloride1490-25-1 Methyl 4-chloroacetoacetate32807-28-6 Ethyl 2-chloro-3-oxopropanoate33142-21-1 Ethyl 3-chloro-3-oxopropanoate36239-09-5 1-(Acetyloxy)-3-chloro-2-propanone40235-68-5 Methyl 2-chloroacetoacetate4755-81-1

Elsewhere

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