3,4-Thiophenedicarbonitrile

Basic Information

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CAS Number

18853-32-2

Molecular Formula

C6H2N2S

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

339℃ at 760 mmHg

Flash Point

158.8℃

SMILES

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C1=C(C(=CS1)C#N)C#N

InChI

InChI=1S/C6H2N2S/c7-1-5-3-9-4-6(5)2-8/h3-4H

InChIKey

JSLBLMYJYPZTEB-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

172

Synonyms & References

English

NSC149716
18853-32-2
AC-2781
SY002891
DS-16341
3,4-Dicyanothiophene
A4165
SCHEMBL444735
NSC-149716
MFCD01233047
thiophene-3,4-dicarbonitrile
C6H2N2S
J-012147
CS-W023130
FT-0693960
DTXSID20172213
AKOS015898763
3 pound not4-Dicyanothiophene
3,4-DICYANOTHIOPHENE,
JSLBLMYJYPZTEB-UHFFFAOYSA-N
3,4-Thiophenedicarbonitrile
AB08407
NSC 149716
XCF5B2646M
Thiophene-3,4-dicarbonitrile
4-dicarbonitrile
3,4-DICYANO THIOPHENE
Jsp003867
EBD8071
OR2655
TRA0075152

MDL Number

MFCD01233047

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 3,4-Thiophenedicarbonitrile (CAS: 18853-32-2)?

3,4-Thiophenedicarbonitrile (CAS: 18853-32-2) is a colorless solid with a molecular weight of approximately 134.12 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. Chemically, it is relatively stable but can react with strong bases to form thiophene derivatives. It crystallizes in a monoclinic form.

How is 3,4-Thiophenedicarbonitrile (CAS: 18853-32-2) typically synthesized?

3,4-Thiophenedicarbonitrile can be synthesized by the condensation of thiophene-2-carbonitrile with thiophene in the presence of a Lewis acid catalyst like aluminum chloride. The reaction yields a high purity product with good selectivity and high yield, typically around 90%.

What industries use 3,4-Thiophenedicarbonitrile (CAS: 18853-32-2)?

3,4-Thiophenedicarbonitrile (CAS: 18853-32-2) is used in various industries including pharmaceuticals, where it serves as a precursor for drug synthesis, and in the production of semiconductors and sensors. Its stability and chemical reactivity make it valuable in these applications.

What precautions should be taken when handling 3,4-Thiophenedicarbonitrile (CAS: 18853-32-2)?

When handling 3,4-Thiophenedicarbonitrile (CAS: 18853-32-2), it is essential to use appropriate personal protective equipment (PPE) such as gloves and safety goggles. Store it in a fume hood and avoid contact with water to prevent hydrolysis. In case of spill, use appropriate spill cleanup materials and consult the Safety Data Sheet (SDS) for detailed instructions.