Cas no 709-04-6 (1-Phenyl-1H-pyrazole-4-carbonitrile)

1-Phenyl-1H-pyrazole-4-carbonitrile structure
709-04-6 structure
Product Name:1-Phenyl-1H-pyrazole-4-carbonitrile
CAS No:709-04-6
MF:C10H7N3
MW:169.182681322098
MDL:MFCD08691162
CID:95215
PubChem ID:10909970
Update Time:2025-08-05

1-Phenyl-1H-pyrazole-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1-Phenyl-1H-pyrazole-4-carbonitrile
    • 1-phenylpyrazole-4-carbonitrile
    • 1-Phenyl-1H-pyrazol-4-carbonitril
    • 1-Phenyl-4-cyanopyrazole
    • 1-Phenyl-4-pyrazol-carbonitril
    • 4-cyano-1-phenylpyrazole
    • 1-Phenyl-1H-pyrazole--4-carbonitrile
    • QXUOMWCBAUSGQT-UHFFFAOYSA-N
    • 4-Cyano-1-phenylpyrazole, AldrichCPR
    • NE18265
    • AK139700
    • BB 0219797
    • AMY11896
    • MFCD08691162
    • DTXSID80447994
    • FT-0755423
    • EN300-25976
    • AKOS009104338
    • SCHEMBL2214866
    • 709-04-6
    • FD10511
    • Z220343712
    • DS-6701
    • CS-0060552
    • SY111105
    • J-505063
    • DA-16805
    • MDL: MFCD08691162
    • Inchi: 1S/C10H7N3/c11-6-9-7-12-13(8-9)10-4-2-1-3-5-10/h1-5,7-8H
    • InChI Key: QXUOMWCBAUSGQT-UHFFFAOYSA-N
    • SMILES: N1(C=C(C#N)C=N1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 169.06400
  • Monoisotopic Mass: 169.063997236g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 212
  • 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
  • Topological Polar Surface Area: 41.6
  • XLogP3: 1.6

Experimental Properties

  • Density: 1.13±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 134.5 oC (water )
  • Boiling Point: 321.197°C at 760 mmHg
  • Flash Point: 148.055°C
  • Refractive Index: 1.623
  • Solubility: Very slightly soluble (0.83 g/l) (25 o C),
  • PSA: 41.61000
  • LogP: 1.74398

1-Phenyl-1H-pyrazole-4-carbonitrile Security Information

  • Hazardous Material transportation number:NONH for all modes of transport

1-Phenyl-1H-pyrazole-4-carbonitrile 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%

1-Phenyl-1H-pyrazole-4-carbonitrile Pricemore >>

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