Cas no 7152-40-1 (5-Amino-4-cyano-3-cyanomethyl-1-phenylpyrazole)

5-Amino-4-cyano-3-cyanomethyl-1-phenylpyrazole structure
7152-40-1 structure
Product Name:5-Amino-4-cyano-3-cyanomethyl-1-phenylpyrazole
CAS No:7152-40-1
MF:C12H9N5
MW:223.233361005783
MDL:MFCD00020729
CID:85840
PubChem ID:81585
Update Time:2025-04-18

5-Amino-4-cyano-3-cyanomethyl-1-phenylpyrazole Chemical and Physical Properties

Names and Identifiers

    • 5-Amino-4-cyano-1-phenyl-3-pyrazoleacetonitrile
    • 5-Amino-4-cyano-3-cyanomethyl-1-phenylpyrazole
    • 5-Amino-3-cyanomethyl-1-phenylpyrazole-4-carbonitrile
    • 5-Amino-4-cyano-1-phenyl-1H-pyrazole-3-acetonitrile
    • 5-amino-3-(cyanomethyl)-1-phenylpyrazole-4-carbonitrile
    • 1H-Pyrazole-3-acetonitrile,5-amino-4-cyano-1-phenyl
    • 1-Phenyl-3-cyanomethyl-4-cyano-5-aminopyrazole
    • 4-Pyrazolecarbonitrile,5-amino-3-cyanomethyl-1-phenyl
    • 5-amino-3-cyanomethyl-1-phenylpyrazolecarbonitrile
    • EN300-02690
    • F0307-0744
    • SCHEMBL1063608
    • 5-amino-3-(cyanomethyl)-1-phenyl-1H-pyrazol-4-yl cyanide
    • UNII-2C59BX2079
    • NSC 22494
    • AKOS000122106
    • E79199
    • 1H-Pyrazole-3-acetonitrile,5-amino-4-cyano-1-phenyl-
    • 5-amino-3-(cyanomethyl)-1-phenyl-1H-pyrazole-4-carbonitrile
    • 7152-40-1
    • 4-Pyrazolecarbonitrile, 5-amino-3-cyanomethyl-1-phenyl-
    • PYRAZOLE-3-ACETONITRILE, 5-AMINO-4-CYANO-1-PHENYL-
    • SMR000186932
    • BRN 0217441
    • CS-0218962
    • Maybridge1_007079
    • NSC22494
    • 5-25-17-00107 (Beilstein Handbook Reference)
    • HMS561J17
    • NCGC00245605-01
    • MLS000570505
    • Cambridge id 5728240
    • WLN: T5NNJ AR& C1CN DCN EZ
    • HMS2183K06
    • 2C59BX2079
    • 1H-Pyrazole-3-acetonitrile, 5-amino-4-cyano-1-phenyl-
    • MFCD00020729
    • Z55433868
    • NSC-22494
    • DTXSID60221759
    • FT-0620003
    • AS-70267
    • NS00037239
    • A837226
    • EINECS 230-496-6
    • CHEMBL1607662
    • DB-055543
    • STK397840
    • MDL: MFCD00020729
    • Inchi: 1S/C12H9N5/c13-7-6-11-10(8-14)12(15)17(16-11)9-4-2-1-3-5-9/h1-5H,6,15H2
    • InChI Key: GUHSDYKJSKLWJF-UHFFFAOYSA-N
    • SMILES: N1(C2C=CC=CC=2)C(=C(C#N)C(CC#N)=N1)N
    • BRN: 217441

Computed Properties

  • Exact Mass: 223.08600
  • Monoisotopic Mass: 223.086
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 356
  • 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: 91.4A^2
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 1.5

Experimental Properties

  • Color/Form: White crystalline powder
  • Density: 1.2950 (rough estimate)
  • Melting Point: 164-165°C
  • Boiling Point: 354.52°C (rough estimate)
  • Flash Point: 248.2°C
  • Refractive Index: 1.6610 (estimate)
  • PSA: 91.42000
  • LogP: 1.97346
  • Solubility: Insoluble in water

5-Amino-4-cyano-3-cyanomethyl-1-phenylpyrazole Security Information

  • Hazardous Material transportation number:3276
  • Hazard Category Code: 22-23/24/25
  • Safety Instruction: S22-S36/37-S45-S36/37/39-S28-S27
  • RTECS:UQ6260000
  • Hazardous Material Identification: Xn
  • Packing Group:III
  • Hazard Level:6.1
  • Risk Phrases:R20/21/22
  • Packing Group:III
  • Safety Term:6.1
  • HazardClass:6.1
  • PackingGroup:III

5-Amino-4-cyano-3-cyanomethyl-1-phenylpyrazole 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%

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