Ethyl (3S)-4-chloro-3-hydroxybutanoate

Basic Information

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CAS Number

86728-85-0

Molecular Formula

C6H11ClO3

Molecular Weight

166.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

96°C/3mmHg

Density

1.19 g/mL at 25 °C

Refractive Index

n20/D 1.453(lit.)

Specific Rotation

-14.5 º (c=neat)

SMILES

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CCOC(=O)C[C@H](O)CCl

InChI

InChI=1S/C6H11ClO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4H2,1H3/t5-/m0/s1

InChIKey

ZAJNMXDBJKCCAT-YFKPBYRVSA-N

LogP

0.5393000000000001

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

105

Safety Information

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GHS Hazard Pictograms

H318

Hazard Statement

H318 Causes serious eye damage
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

Ethyl (S)-(-)-4-chloro-3-hydroxybutyrate
ethyl s-4-chloro-3-hydroxybutyrate
(S)-(-)-4-Chloro-3-hydroxybutyric acid ethyl ester
(R)-4-Chloro-3-hydroxybutanoic acid ethyl ester
Ethyl (S)-4-Chloro-3-Hydroxybutyrate
S-4-Chloro-3-hydroxybutyric acid ethyl ester
(-)-ETHYL (S)-4-CHLORO-3-HYDROXYBUTYRATE
(S)-Ethyl 4-chloro-3-hydroxybutanoate
Atorvastatin ATS-4
Ats-4
ethyl (3S)-4-chloro-3-hydroxybutanoate
Ethyl (S)-(-)-4-chloro-3-hydroxybutyrate
ETHYL-(S)-(-)-4-CHLORO-3-HYDROXYBUTYRATE
(S)-4-Chloro-3-hydroxybutyric Acid Ethyl Ester
Ethyl (S)-(?)-4-chloro-3-hydroxybutyrate
ethyl (S)-4-chloro-3-hydroxybutanoate
ethyl (S)-(-)-4-chloro-3-hydroxybutanoate
(S)-4-Chloro-3-hydroxy-n-butyric Acid Ethyl Ester
S-4-Chloro-3-hydroxybutyrate
PubChem5783
KSC490A8D
ZAJNMXDBJKCCAT-YFKPB

MDL Number

MFCD00211241

Customs Code

2918199090

FAQ

What is Ethyl (3S)-4-chloro-3-hydroxybutanoate (CAS: 86728-85-0)?

Ethyl (3S)-4-chloro-3-hydroxybutanoate (CAS: 86728-85-0) is a chlorinated ester with the chemical formula C6H12ClO3. It is a white crystalline solid, commonly used in organic synthesis. The compound exhibits hydroxy and chloro functional groups, contributing to its reactivity and utility in pharmaceutical and industrial applications.

What are the main uses of Ethyl (3S)-4-chloro-3-hydroxybutanoate (CAS: 86728-85-0)?

Ethyl (3S)-4-chloro-3-hydroxybutanoate (CAS: 86728-85-0) is primarily used in pharmaceutical research as an intermediate for drug synthesis. It also finds applications in industrial processes, such as polymer production and chemical derivatization. Its unique structure makes it valuable for creating bioactive molecules and studying organic reaction mechanisms.

Is Ethyl (3S)-4-chloro-3-hydroxybutanoate (CAS: 86728-85-0) safe?

Ethyl (3S)-4-chloro-3-hydroxybutanoate (CAS: 86728-85-0) requires careful handling due to its potential toxicity. Inhalation or contact with skin/eyes may cause irritation. Safety standards recommend using appropriate protective equipment, such as gloves and goggles, and working in well-ventilated areas. Always follow established OSHA guidelines for chemical exposure.

How should Ethyl (3S)-4-chloro-3-hydroxybutanoate (CAS: 86728-85-0) be stored?

Ethyl (3S)-4-chloro-3-hydroxybutanoate (CAS: 86728-85-0) should be stored in a cool, dry, and dark place, ideally at 2-8°C. Keep it in a sealed, airtight container to prevent moisture and air exposure. Avoid direct light and ensure storage conditions maintain its stability and prevent hydrolysis.