Cas no 838-33-5 (Benzonitrile,4-(2-benzoxazolyl)-)

Benzonitrile,4-(2-benzoxazolyl)- structure
838-33-5 structure
Product Name:Benzonitrile,4-(2-benzoxazolyl)-
CAS No:838-33-5
MF:C14H8N2O
MW:220.22612285614
CID:707176
PubChem ID:11333484
Update Time:2025-04-19

Benzonitrile,4-(2-benzoxazolyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile,4-(2-benzoxazolyl)-
    • 4-(1,3-benzoxazol-2-yl)benzonitrile
    • 2-(4-cyanophenyl)-benzoxazole
    • 4-(2-benzoxazolyl)benzonitrile
    • 4-(benzo[d]oxazol-2-yl)benzonitrile
    • 4-(benzoxazol-2-yl)benzonitrile
    • 4-Benzooxazol-2-yl-benzonitrile
    • Benzonitrile,4-(2-benzoxazolyl)
    • 838-33-5
    • SCHEMBL9680833
    • DTXSID80462662
    • 2-(4-Cyanophenyl)benzoxazole
    • AC-20988
    • AKOS005062731
    • Inchi: 1S/C14H8N2O/c15-9-10-5-7-11(8-6-10)14-16-12-3-1-2-4-13(12)17-14/h1-8H
    • InChI Key: MAFVYWAFXVNAIJ-UHFFFAOYSA-N
    • SMILES: O1C(C2C=CC(C#N)=CC=2)=NC2C=CC=CC1=2

Computed Properties

  • Exact Mass: 220.06400
  • Monoisotopic Mass: 220.063662883g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 313
  • 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: 49.8?2

Experimental Properties

  • Density: 1.3
  • Boiling Point: 366°C at 760 mmHg
  • Flash Point: 175.1°C
  • Refractive Index: 1.679
  • PSA: 49.82000
  • LogP: 3.36648

Benzonitrile,4-(2-benzoxazolyl)- 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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