S-4-氯-3-羟基丁酸乙酯

Description

S-4-Chloro-3-hydroxybutyric acid ethyl ester · CAS 86728-85-0 · C6H11ClO3. UNII 4LVQ2A7DDJ.

Identification

CAS Registry Number	86728-85-0
PubChem CID	7019277
Molecular formula	C6H11ClO3
IUPAC name	ethyl (3S)-4-chloro-3-hydroxybutanoate
UNII (FDA)	4LVQ2A7DDJ

Computed Descriptors

Molecular Weight	166.60
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	166.0396719
Monoisotopic Mass	166.0396719
Topological Polar Surface Area	46.5
Heavy Atom Count	10
Formal Charge	0

GHS Hazard Classification

Reported hazard statements	H302 (95.7%), H315 (10.9%), H318 (97.8%)

Synonyms

86728-85-0; ethyl (3S)-4-chloro-3-hydroxybutanoate; DTXSID00427096; RefChem:138454; DTXCID90377930; ethyl s-4-chloro-3-hydroxybutyrate; ethyl (S)-4-chloro-3-hydroxybutanoate; Ethyl (S)-(-)-4-chloro-3-hydroxybutyrate; Ethyl (S)-4-Chloro-3-hydroxybutyrate; MFCD00211241; (S)-4-Chloro-3-hydroxybutyric Acid Ethyl Ester; ethyl (S)-(-)-4-chloro-3-hydroxybutanoate; (S)-Ethyl 4-chloro-3-hydroxybutanoate; (-)-ETHYL (S)-4-CHLORO-3-HYDROXYBUTYRATE; Rosuvastatin Impurity 60; ethyl (3S)-4-chloro-3-hydroxy-butanoate

Frequently Asked Questions

What are the CAS number and molecular formula of S-4-Chloro-3-hydroxybutyric acid ethyl ester?

CAS 86728-85-0; molecular formula C6H11ClO3; molecular weight — g/mol.

What other names is S-4-Chloro-3-hydroxybutyric acid ethyl ester known by?

86728-85-0, ethyl (3S)-4-chloro-3-hydroxybutanoate, DTXSID00427096, RefChem:138454, DTXCID90377930, ethyl s-4-chloro-3-hydroxybutyrate.

Is S-4-Chloro-3-hydroxybutyric acid ethyl ester classified as hazardous?

Hazard statements reported: H302, H315, H318.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.