1,4-Oxathiane-2,6-dione

Basic Information

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CAS Number

3261-87-8

Molecular Formula

C4H4O3S

Molecular Weight

132.14 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 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

94 °C

Boiling Point

341.8°C at 760 mmHg

Flash Point

190.5 ºC

Refractive Index

1.545

SMILES

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C1C(=O)OC(=O)CS1

InChI

InChI=1S/C4H4O3S/c5-3-1-8-2-4(6)7-3/h1-2H2

InChIKey

RIIUAPMWDSRBSH-UHFFFAOYSA-N

LogP

-0.19700000000000006

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

117

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Moisture Sensitive

Synonyms & References

English

C4H4O3S
NSC-147625
Thiodiglycolic anhydride
NSC147625
A821340
CS-W013418
MFCD00051689
H10798
SCHEMBL2527775
DTXSID30186306
3261-87-8
FT-0634751
1,4-Oxathiane-2,6-dione
STR03033
NS00029308
Thiodiglycolic anhydride, AldrichCPR
1-Oxa-4-thia-cyclohexan-2,6-dione
NSC 147625
1,4-Oxathiane-2,6-dione #
AKOS008988060
EN300-18625
RIIUAPMWDSRBSH-UHFFFAOYSA-N
1,4-Oxathiane-2,6-dione~2,2-Thiodiacetic acid anhydride
1,4-oxathiane-2,6-dione
<1,4>thioxane-2,5-dione
thiodiacetic anhydride
thiodiglycollic acid anhydride
thiodiglycollic anhydride

MDL Number

MFCD00051689

Customs Code

2934999090

FAQ

What is 1,4-Oxathiane-2,6-dione (CAS: 3261-87-8)?

1,4-Oxathiane-2,6-dione, also known as 1,4-dioxathiane, is an organosulfur compound with the chemical formula C4H4O4. It is a colorless, crystalline solid with a pungent odor. This compound is used in the synthesis of pharmaceuticals, intermedieates in organic synthesis, and as a reagent in chemical reactions.

What are the main uses of 1,4-Oxathiane-2,6-dione (CAS: 3261-87-8)?

1,4-Oxathiane-2,6-dione (CAS: 3261-87-8) is primarily used in the synthesis of pharmaceuticals, as a reagent in organic chemistry, and as an intermediate in the production of various chemicals. It is also utilized in the preparation of some agricultural chemicals and as a component in certain research applications.

Is 1,4-Oxathiane-2,6-dione (CAS: 3261-87-8) safe?

1,4-Oxathiane-2,6-dione (CAS: 3261-87-8) is generally considered safe for handling under normal conditions, but it is important to follow safety guidelines. It is flammable and should be stored in a cool, dry place away from direct sunlight and heat sources. Proper ventilation is necessary to avoid inhalation of dust or fumes. Protective equipment, such as gloves and safety goggles, should be worn during handling.

How should 1,4-Oxathiane-2,6-dione (CAS: 3261-87-8) be stored?

1,4-Oxathiane-2,6-dione (CAS: 3261-87-8) should be stored in a tightly sealed container at room temperature, below 25°C, away from direct sunlight and heat sources. It should be kept in a well-ventilated area and out of reach of children and unauthorized individuals. Avoid contact with moisture and store in a dry environment to prevent degradation of the compound.