1,3-Dithiane | CAS No. 505-23-7

1,3-Dithiane

Basic Information

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CAS Number

505-23-7

Molecular Formula

C4H8S2

Molecular Weight

120.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

52.0 to 55.0 deg-C

Boiling Point

208°C

Water Solubility

Soluble in benzene, ether, chloroform and terahydrofuran. Slightly soluble in water.

Refractive Index

1.5981 (estimate)

SMILES

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C1CSCSC1

InChI

InChI=1S/C4H8S2/c1-2-5-4-6-3-1/h1-4H2

InChIKey

WQADWIOXOXRPLN-UHFFFAOYSA-N

LogP

1.814

pKa

31(at 25℃)

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

32.5

Safety Information

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Hazard Class

Class 4.1 Class 4.1

Sensitiveness

Hygroscopic

Synonyms & References

English

HY-W001189
Q27120823
PB47614
NSC-157830
A828148
InChI=1/C4H8S2/c1-2-5-4-6-3-1/h1-4H
AS-54491
Dithiane-1,3 [French]
1.3-dithiane
Dithiane-1,3
CHEBI:47845
NS00032071
505-23-7
CCRIS 6777
AI3-62288
AKOS015856616
W-105954
FT-0606727
63527N060G
UNII-63527N060G
SCHEMBL27723
1,3 dithiocyclohexane
1,3-dithian
D0119
1,3-Dithiane
m-DITHIANE
m-Dithiane, 8CI
EINECS 208-006-7
PD158227
NSC 157830
NSC157830

MDL Number

MFCD00006654

Customs Code

29349990

FAQ

What regulatory guidelines apply to 1,3-Dithiane (CAS: 505-23-7)?

1,3-Dithiane (CAS: 505-23-7) falls under the scope of various regulatory guidelines such as the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), which requires hazard communication including label warnings and safety data sheets. In Europe, it must comply with REACH regulations for chemical registration, evaluation, and authorization. Additionally, the United States Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) may require specific handling, storage, and disposal procedures to ensure safety and environmental protection.

Are there alternatives to 1,3-Dithiane (CAS: 505-23-7) in synthesis?

There are alternative reagents that can be used in synthesis to achieve similar results to 1,3-Dithiane (CAS: 505-23-7), such as 1,3-dithianes derivatives and other sulfur-containing compounds. Common alternatives include 1,3-dithianes analogs and isomers, which may offer similar functional groups for different synthetic pathways. These alternatives can be chosen based on specific reaction conditions and desired product properties.

What is the market or research trend for 1,3-Dithiane (CAS: 505-23-7)?

The market for 1,3-Dithiane (CAS: 505-23-7) is steadily growing, driven by its applications in pharmaceuticals, agrochemicals, and as a precursor in the synthesis of various organic compounds. Research trends are focusing on the development of more efficient synthesis methods and the exploration of its use in novel materials and drug discovery. The increasing demand for high-performance materials and personalized medicines is expected to further boost the market demand for 1,3-Dithiane.

How should waste containing 1,3-Dithiane (CAS: 505-23-7) be handled?

Waste containing 1,3-Dithiane (CAS: 505-23-7) should be collected in appropriate containers and labeled with the correct hazard information. It should be handled according to local regulations and safety guidelines. For disposal, incineration is a common method, but professional waste disposal services may be necessary to ensure compliance with environmental protection requirements. Proper environmental precautions, such as minimizing emissions and using protective equipment, are essential during handling and disposal to prevent environmental contamination.