Cas no 25699-82-5 (3-(1H-Pyrazol-1-yl)benzonitrile)

3-(1H-Pyrazol-1-yl)benzonitrile structure
25699-82-5 structure
Product Name:3-(1H-Pyrazol-1-yl)benzonitrile
CAS No:25699-82-5
MF:C10H7N3
MW:169.182681322098
MDL:MFCD07772807
CID:242176
PubChem ID:7164581
Update Time:2024-10-30

3-(1H-Pyrazol-1-yl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-(1H-Pyrazol-1-yl)benzonitrile
    • 3-pyrazol-1-ylbenzonitrile
    • Benzonitrile,3-(1H-pyrazol-1-yl)-
    • 1-(3-cyanophenyl)pyrazole
    • 1-m-Cyanophenyl-pyrazol
    • 3-(pyrazol-1-yl)benzonitrile
    • 3-pyrazolylbenzenecarbonitrile
    • 3-pyrazolylbenzonitrile
    • N-(3-cyanophenyl)pyrazole
    • SCHEMBL4702337
    • AC-31812
    • EN300-78765
    • BS-27733
    • DTXCID70379013
    • CS1260
    • DB-010531
    • Z431560162
    • 25699-82-5
    • KLZKYUMVLIQOFX-UHFFFAOYSA-N
    • MFCD07772807
    • DTXSID50428179
    • AKOS009566835
    • MDL： MFCD07772807
    • Inchi： InChI=1S/C10H7N3/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13/h1-7H
    • InChI Key： KLZKYUMVLIQOFX-UHFFFAOYSA-N
    • SMILES： C1=CC(=CC(=C1)N2C=CC=N2)C#N

Computed Properties

  • Exact Mass: 169.06400
  • Monoisotopic Mass: 169.063997236g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 218
  • 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: 1.9
  • Topological Polar Surface Area: 41.6?2

Experimental Properties

  • Density: 1.13
  • Boiling Point: 309.8°Cat760mmHg
  • Flash Point: 141.2°C
  • Refractive Index: 1.622
  • PSA: 41.61000
  • LogP: 1.74398

3-(1H-Pyrazol-1-yl)benzonitrile Customs Data

  • HS CODE：2933199090
  • Customs Data：

    China Customs Code:

    2933199090

    Overview:

    2933199090. Other structurally non fused pyrazole ring 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-(1H-Pyrazol-1-yl)benzonitrile Pricemore >>

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