4,5-Dichloro-1,3-dioxolan-2-one

Basic Information

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CAS Number

3967-55-3

Molecular Formula

C3H2Cl2O3

Molecular Weight

156.95 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

SMILES

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C1(C(OC(=O)O1)Cl)Cl

InChI

InChI=1S/C3H2Cl2O3/c4-1-2(5)8-3(6)7-1/h1-2H

InChIKey

BETICXVUVYXEJX-UHFFFAOYSA-N

LogP

1.283

Topological Polar Surface Area

35.53 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

103

Synonyms & References

English

CS-0199418
FT-0635080
1,3-Dioxolan-2-one, 4,5-dichloro-
Cyclic 1,2-dichloroethylene carbonate
NSC 15913
1,2-Dichloroethylene carbonate
Carbonic acid, 1,2-dichloroethylene ester
NSC15913
4,5-Dichloro-1,3-dioxolan-2-one
dichloroethylene carbonate
Carbonic acid,2-dichloroethylene ester
4,3-dioxolane-2-one
1,3-DIOXOLANE, 4,5-DICHLORO-2-OXO-
DTXSID10960287
SCHEMBL139108
1,2-Dichloro ethylene carbonate
AKOS006282817
NSC-15913
AS-40414
WLN: T5OOOTJ DG EG
Phosphonomycin(R)-1-phenethylaminesalt
3967-55-3
CHEBI:189153
MFCD00005384
1,2-DichlorA currencythylencarbonat
BETICXVUVYXEJX-UHFFFAOYSA-N
4,5-Dichloro-1,3-dioxolane-2-one
NS00049401
Carbonic acid, cyclic 1,2-dichloroethylene ester
1, 4,5-dichloro-2-oxo-
EINECS 223-584-0

MDL Number

MFCD00005384

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 4,5-Dichloro-1,3-dioxolan-2-one (CAS: 3967-55-3)?

4,5-Dichloro-1,3-dioxolan-2-one is a white crystalline solid with a molecular weight of approximately 213.02 g/mol. It has a moderate solubility in common organic solvents such as ethanol and acetone. Chemically, it is relatively stable but can undergo hydrolysis under basic conditions. It is used in organic synthesis as a building block and as a reagent.

How is 4,5-Dichloro-1,3-dioxolan-2-one (CAS: 3967-55-3) typically synthesized?

4,5-Dichloro-1,3-dioxolan-2-one is commonly synthesized via the chlorination of 1,3-dioxolan-2-one with chlorine gas in the presence of a phase transfer catalyst such as tetrabutylammonium chloride. The reaction is typically conducted under anhydrous conditions to avoid side reactions. The yield is generally around 75-85%, with good selectivity towards the chlorinated product.

What industries use 4,5-Dichloro-1,3-dioxolan-2-one (CAS: 3967-55-3)?

4,5-Dichloro-1,3-dioxolan-2-one is used in various industries, particularly in the pharmaceutical sector for the synthesis of certain drugs. It also finds applications in the production of polymers, where it serves as a monomer or intermediate. Additionally, it is used in the development of sensors and semiconductors due to its chemical reactivity and stability.

What precautions should be taken when handling 4,5-Dichloro-1,3-dioxolan-2-one (CAS: 3967-55-3)?

When handling 4,5-Dichloro-1,3-dioxolan-2-one, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Handle it in a well-ventilated area or fume hood to minimize exposure to vapors. Spills should be cleaned up using appropriate absorbent materials, followed by thorough washing with water. Always consult the Safety Data Sheet (SDS) for specific handling and disposal instructions.