Cas no 179057-34-2 (4-(1H-Pyrazol-1-ylmethyl)benzonitrile)

4-(1H-Pyrazol-1-ylmethyl)benzonitrile structure
179057-34-2 structure
Product Name:4-(1H-Pyrazol-1-ylmethyl)benzonitrile
CAS No:179057-34-2
MF:C11H9N3
MW:183.209261655807
MDL:MFCD07687291
CID:133608
PubChem ID:8834695
Update Time:2025-04-19

4-(1H-Pyrazol-1-ylmethyl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile,4-(1H-pyrazol-1-ylmethyl)-
    • 4-(1H-Pyrazol-1-ylmethyl)benzonitrile
    • 4-(pyrazol-1-ylmethyl)benzonitrile
    • 4-(1-Pyrazolylmethyl)benzonitrile
    • EN300-27363
    • 4-[(1-Pyrazolyl)methyl]benzonitrile
    • A12163
    • DTXSID70429244
    • 4-((1H-pyrazol-1-yl)methyl)benzonitrile
    • SCHEMBL771837
    • HMS1783D21
    • TS-02552
    • CS-0448629
    • 4-[(1H-Pyrazol-1-yl)methyl]benzonitrile
    • AKOS000198440
    • FPZADNOIMZEBTC-UHFFFAOYSA-N
    • Z126932682
    • FT-0739648
    • Benzonitrile, 4-(1H-pyrazol-1-ylmethyl)-
    • JOY
    • 179057-34-2
    • MFCD07687291
    • SY167922
    • 4-(1H-Pyrazol-1-ylmethyl)benzonitrile 97%
    • DB-065259
    • ALBB-030597
    • MDL: MFCD07687291
    • Inchi: 1S/C11H9N3/c12-8-10-2-4-11(5-3-10)9-14-7-1-6-13-14/h1-7H,9H2
    • InChI Key: FPZADNOIMZEBTC-UHFFFAOYSA-N
    • SMILES: N1(C=CC=N1)CC1C=CC(C#N)=CC=1

Computed Properties

  • Exact Mass: 183.08000
  • Monoisotopic Mass: 183.079647300g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 222
  • 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: 1.5
  • Topological Polar Surface Area: 41.6?2

Experimental Properties

  • Density: 1.111
  • Melting Point: 80 °C
  • Boiling Point: 374.608°C at 760 mmHg
  • Flash Point: 180.357°C
  • Refractive Index: 1.609
  • PSA: 41.61000
  • LogP: 1.80308

4-(1H-Pyrazol-1-ylmethyl)benzonitrile Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi

4-(1H-Pyrazol-1-ylmethyl)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%

4-(1H-Pyrazol-1-ylmethyl)benzonitrile Pricemore >>

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