1,3,2-Dioxathiane 2,2-dioxide

Basic Information

View in Editor

CAS Number

1073-05-8

Molecular Formula

C3H6O4S

Molecular Weight

138.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

58-62 °C

Boiling Point

153 ºC (14 Torr)

Flash Point

99.2±18.2 ºC,

Refractive Index

1.5500 (estimate)

SMILES

View in Editor

C1COS(=O)(=O)OC1

InChI

InChI=1S/C3H6O4S/c4-8(5)6-2-1-3-7-8/h1-3H2

InChIKey

OQYOVYWFXHQYOP-UHFFFAOYSA-N

LogP

-0.33189999999999986

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

141

Safety Information

View Safety Information

GHS Hazard Pictograms

H351

Hazard Statement

H351 Suspected of causing cancer
Carcinogenicity

Synonyms & References

English

Trimethylene sulfate
1,3-propylene sulphate
1,3-Propylene sulfate
D4427
1,3,2-Dioxathiane, 2,2-dioxide
TRIMETHYLENE SULPHATE
[1,3,2]dioxathiane 2,2-dioxide
NSC-526595
BRN 0774775
PROPANO-1,3-DIYL SULFATE
FT-0707060
NS00023453
MFCD00801144
1,3,2lambda6-dioxathiane-2,2-dione
DTXSID4061460
EINECS 214-022-5
1,3,2-Dioxathiane 2,2-dioxide
1,3-Propanediol, cyclic sulfate
1,3,2-dioxathiane-2,2-dione
U6R4I8LVEF
1,3,2-DIOXATHIANE2,2-DIOXIDE
AKOS015907881
3-01-00-02161 (Beilstein Handbook Reference)
SCHEMBL51770
BS-30033
PROPANO-1,3-DIYL SULPHATE
1,3,2lambda-dioxathiane-2,2-dione
SY052762
1,3-Propanediol, cyclic sulphate
CS-0204556
Q27290765

MDL Number

MFCD00801144

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 1,3,2-Dioxathiane 2,2-dioxide (CAS: 1073-05-8)?

1,3,2-Dioxathiane 2,2-dioxide (CAS: 1073-05-8) is a colorless crystalline solid with a molecular weight of approximately 134.07 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. It is highly reactive and can undergo hydrolysis to form 2,2-dimethyl-1,3-dithiane. The compound is stable under normal conditions but should be stored in a dry, shaded area to avoid moisture and light exposure.

How is 1,3,2-Dioxathiane 2,2-dioxide (CAS: 1073-05-8) typically synthesized?

1,3,2-Dioxathiane 2,2-dioxide is typically synthesized through the condensation of methyl acetylenedicarboxylate with dimethyl sulfide in the presence of a strong base like potassium tert-butoxide. The reaction yield is usually high (around 90%), and the product is purified by recrystallization from ethanol. The use of appropriate catalysts and optimal reaction conditions ensures high selectivity and yield.

What industries use 1,3,2-Dioxathiane 2,2-dioxide (CAS: 1073-05-8)?

1,3,2-Dioxathiane 2,2-dioxide (CAS: 1073-05-8) is used in various industries, including pharmaceuticals, where it serves as a precursor for certain drug synthesis; in the semiconductor industry, for the fabrication of electronic components; and in polymer science, for the production of specific polymers. It is also used in the synthesis of sensors and as a reagent in analytical chemistry.

What precautions should be taken when handling 1,3,2-Dioxathiane 2,2-dioxide (CAS: 1073-05-8)?

When handling 1,3,2-Dioxathiane 2,2-dioxide (CAS: 1073-05-8), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a well-ventilated area and handled in a fume hood to minimize exposure. In case of a spill, it should be cleaned up immediately with absorbent materials. Always refer to the safety data sheet (SDS) for detailed safety information and emergency procedures.