Cas no 18853-42-4 (Thiophene-2,3-dicarbonitrile)

Thiophene-2,3-dicarbonitrile is a heterocyclic organic compound featuring a thiophene ring substituted with two cyano groups at the 2 and 3 positions. This high-purity intermediate is valued for its versatility in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and functional materials. Its electron-withdrawing cyano groups enhance reactivity, making it useful in cyclization and cross-coupling reactions. The compound’s rigid aromatic structure contributes to thermal and chemical stability, ensuring consistent performance in demanding applications. It is commonly employed as a building block for conjugated systems in optoelectronic materials. Proper handling is advised due to its potential toxicity.
Thiophene-2,3-dicarbonitrile structure
Thiophene-2,3-dicarbonitrile structure
Product Name:Thiophene-2,3-dicarbonitrile
CAS No:18853-42-4
MF:C6H2N2S
MW:134.158479213715
CID:907523
PubChem ID:288492
Update Time:2025-05-27

Thiophene-2,3-dicarbonitrile Chemical and Physical Properties

Names and Identifiers

    • Thiophene-2,3-dicarbonitrile
    • 2,3-Thiophenedicarbonitrile
    • 2,3-Dicyanothiophen
    • 2,3-Dicyanothiophene
    • Thiophen-2,3-dicarbonitril
    • NSC 149704
    • thiophene-2,3- dicarbonitrile
    • FVZ9A1GD1N
    • Z1486015697
    • DB-353136
    • CS-0216926
    • UNII-FVZ9A1GD1N
    • DTXSID40172215
    • G75803
    • SCHEMBL1343960
    • AKOS016011727
    • NSC-149704
    • NSC149704
    • dicyanothiophene
    • thiophene-2,3-
    • 18853-42-4
    • EN300-6482477
    • DTXCID8094706
    • MDL: MFCD20482174
    • Inchi: 1S/C6H2N2S/c7-3-5-1-2-9-6(5)4-8/h1-2H
    • InChI Key: FDLABKBUOMBKLS-UHFFFAOYSA-N
    • SMILES: S1C=CC(C#N)=C1C#N

Computed Properties

  • Exact Mass: 133.99400
  • Monoisotopic Mass: 133.994
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 194
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 75.8A^2
  • XLogP3: 1.4

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.34
  • Melting Point: 115-122 oC
  • Boiling Point: 336.3°C at 760 mmHg
  • Flash Point: 157.2°C
  • Refractive Index: 1.596
  • PSA: 75.82000
  • LogP: 1.49146
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

Thiophene-2,3-dicarbonitrile Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Thiophene-2,3-dicarbonitrile Production Method

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