Cas no 55406-13-8 (3-Methylthiophene-2-carbonitrile)

3-Methylthiophene-2-carbonitrile structure
55406-13-8 structure
Product Name:3-Methylthiophene-2-carbonitrile
CAS No:55406-13-8
MF:C6H5NS
MW:123.175599813461
MDL:MFCD00052086
CID:89850
PubChem ID:521617
Update Time:2025-04-18

3-Methylthiophene-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Methylthiophene-2-carbonitrile
    • 2-Cyano-3-methylthiophene
    • 3-Methyl-2-thiophenecarbonitrile
    • EN300-213742
    • AMY7323
    • CS-0132121
    • A830628
    • AKOS005207045
    • FT-0616187
    • MFCD00052086
    • J-512936
    • 3-methyl-thiophene-2-carbonitrile
    • A51093
    • 55406-13-8
    • GEO-02888
    • 3-Methyl-2-thiophenecarbonitrile #
    • SCHEMBL480051
    • SY061621
    • DTXSID60334696
    • TS-01634
    • Z381355194
    • BBL102536
    • STL556339
    • DB-052723
    • MDL: MFCD00052086
    • Inchi: 1S/C6H5NS/c1-5-2-3-8-6(5)4-7/h2-3H,1H3
    • InChI Key: ALZHYEITUZEZMT-UHFFFAOYSA-N
    • SMILES: S1C=CC(C)=C1C#N
    • BRN: 5495606

Computed Properties

  • Exact Mass: 123.01400
  • Monoisotopic Mass: 123.014
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 124
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2
  • Topological Polar Surface Area: 52A^2

Experimental Properties

  • Color/Form: liquid
  • Density: 91
  • Boiling Point: 91-93°C 12mm
  • Flash Point: 91-93°C/12mm
  • Refractive Index: 1.5530
  • PSA: 52.03000
  • LogP: 1.92818
  • Solubility: Not determined

3-Methylthiophene-2-carbonitrile Security Information

  • Hazard Statement: Irritant
  • Hazardous Material transportation number:3276
  • Hazard Category Code: 20/21/22
  • Safety Instruction: S36/37/39
  • Hazardous Material Identification: Xi
  • HazardClass:6.1
  • PackingGroup:III
  • Safety Term:6.1
  • Packing Group:III
  • Risk Phrases:R20/21/22
  • Packing Group:III
  • Hazard Level:6.1

3-Methylthiophene-2-carbonitrile 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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3-Methylthiophene-2-carbonitrile Production Method

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