2,5-Dimethylthiophene

Basic Information

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CAS Number

638-02-8

Molecular Formula

C6H8S

Molecular Weight

112.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

-63°C

Boiling Point

134 °C/740 mmHg

Density

0.985 g/mL at 25 °C

Water Solubility

Insoluble in water. Soluble in alcohol, ether and benzene.

Refractive Index

n20/D 1.512(lit.)

SMILES

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Cc1ccc(C)s1

InChI

InChI=1S/C6H8S/c1-5-3-4-6(2)7-5/h3-4H,1-2H3

InChIKey

GWQOOADXMVQEFT-UHFFFAOYSA-N

LogP

2.3649400000000007

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

53.2

Safety Information

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GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3 Class 3

Synonyms & References

English

2,5-Dimethylthiophene
2,4-DINITROBENZENESULFONYL CHLORIDE
2,5-Dimethylthiophen
2,5-dimethyl-thiophene
2,5-SC4H2Me2
2,5-Thioxene
3,5-methylthiophene
Thiophene,2,5-dimethyl
Thiophene,5-dimethyl
α,α′-Thioxene
NSC 60689
Thiophene, 2,5-dimethyl-
V6DDX6WB12
GWQOOADXMVQEFT-UHFFFAOYSA-N
NSC60689
PubChem5194
Thiophene,5-dimethyl-
2,5 Dimethylthiophene
2,5-dimethyl thiophene
Thiophene,2,5-dimethyl-
2,5-Dimethyl-2H-thiolium

MDL Number

MFCD00005452

Customs Code

29349990

FAQ

What are the physical and chemical properties of 2,5-Dimethylthiophene (CAS: 638-02-8)?

2,5-Dimethylthiophene (CAS: 638-02-8) is a colorless liquid with a characteristic odor. It has a molecular weight of 98.13 g/mol and a specific gravity of 0.89. The compound is slightly soluble in water but soluble in common organic solvents. It is moderately reactive, particularly towards oxidizing agents and metal catalysts. It decomposes above 300°C and reacts with strong acids and bases.

How is 2,5-Dimethylthiophene (CAS: 638-02-8) typically synthesized?

2,5-Dimethylthiophene is commonly synthesized via the alkylation of thiophene with methanol in the presence of a strong acid catalyst such as sulfuric acid. The reaction is carried out under mild conditions and can provide high selectivity and yield. Alternative methods include the reaction of thiophene with methyl iodide and sodium hydride, though this method requires more hazardous reagents.

What industries use 2,5-Dimethylthiophene (CAS: 638-02-8)?

2,5-Dimethylthiophene is widely used in the petrochemical industry, particularly in the production of gasoline and other petroleum products. It is also utilized in the synthesis of dyes, pharmaceuticals, and as a precursor in the production of polymers and semiconductors. Additionally, it is employed in the manufacturing of electronic materials and as a reagent in analytical chemistry.

What precautions should be taken when handling 2,5-Dimethylthiophene (CAS: 638-02-8)?

When handling 2,5-Dimethylthiophene (CAS: 638-02-8), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure the work is carried out in a well-ventilated area or fume hood to avoid inhalation of vapors. Spills should be cleaned up immediately using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed emergency procedures and disposal guidelines.