Cas no 499770-79-5 (5-isocyanato-1-benzofuran)

5-isocyanato-1-benzofuran structure
5-isocyanato-1-benzofuran structure
Product Name:5-isocyanato-1-benzofuran
CAS No:499770-79-5
MF:C9H5NO2
MW:159.141502141953
CID:328391
PubChem ID:18525701
Update Time:2025-04-19

5-isocyanato-1-benzofuran Chemical and Physical Properties

Names and Identifiers

    • 1-BENZOFURAN-5-YL ISOCYANATE
    • 5-isocyanato-1-benzofuran
    • Benzofuran,5-isocyanato-
    • 5-isocyanatobenzofuran
    • BENZOFURAN-5-YL ISOCYANATE
    • 499770-79-5
    • DTXSID50594464
    • 1-Benzofuran-5-yl-isocyanate
    • SCHEMBL15034702
    • AKOS006223174
    • J-517649
    • EN300-1852965
    • A827912
    • FT-0644759
    • Inchi: 1S/C9H5NO2/c11-6-10-8-1-2-9-7(5-8)3-4-12-9/h1-5H
    • InChI Key: NXBDATRNNMSVRF-UHFFFAOYSA-N
    • SMILES: O1C=CC2C=C(C=CC1=2)N=C=O

Computed Properties

  • Exact Mass: 159.03200
  • Monoisotopic Mass: 159.032028402g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 211
  • 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
  • XLogP3: 3.1
  • Topological Polar Surface Area: 42.6?2

Experimental Properties

  • Melting Point: 36.4
  • Boiling Point: 82°C
  • PSA: 42.57000
  • LogP: 2.40010

5-isocyanato-1-benzofuran Security Information

5-isocyanato-1-benzofuran Customs Data

  • HS CODE:2932999099
  • Customs Data:

    China Customs Code:

    2932999099

    Overview:

    2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. 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:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-isocyanato-1-benzofuran Pricemore >>

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