Cas no 864068-80-4 (3-(1H-Pyrazol-1-yl)phenylmethanol)

3-(1H-Pyrazol-1-yl)phenylmethanol structure
864068-80-4 structure
Product Name:3-(1H-Pyrazol-1-yl)phenylmethanol
CAS No:864068-80-4
MF:C10H10N2O
MW:174.199202060699
MDL:MFCD06740322
CID:719905
PubChem ID:7164580
Update Time:2024-10-26

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

Names and Identifiers

    • (3-(1H-Pyrazol-1-yl)phenyl)methanol
    • (3-pyrazol-1-ylphenyl)methanol
    • (3-PYRAZOL-1-YL-PHENYL)-METHANOL
    • [3-(1H-Pyrazol-1-yl)phenyl]methanol
    • Benzenemethanol,3-(1H-pyrazol-1-yl)-
    • (3-pyrazolylphenyl)methan-1-ol
    • 3-(1-pyrazolyl)benzyl alcohol
    • 3-(1H-Pyrazol-1-yl)benzenemethanol (ACI)
    • CS-0207407
    • Z1201623766
    • DTXSID90428178
    • STK506243
    • ALBB-010146
    • A863209
    • SY028686
    • TS-02403
    • benzenemethanol, 3-(1H-pyrazol-1-yl)-
    • [3-(pyrazol-1-yl)phenyl]methanol
    • AC7006
    • J-501068
    • MFCD06740322
    • AKOS003237619
    • DB-010507
    • 864068-80-4
    • EN300-105327
    • 3-(1H-Pyrazol-1-yl)phenylmethanol
    • MDL： MFCD06740322
    • Inchi： 1S/C10H10N2O/c13-8-9-3-1-4-10(7-9)12-6-2-5-11-12/h1-7,13H,8H2
    • InChI Key： VINVOQJANISHSK-UHFFFAOYSA-N
    • SMILES： OCC1C=C(N2C=CC=N2)C=CC=1

Computed Properties

  • Exact Mass: 174.07900
  • Monoisotopic Mass: 174.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 163
  • 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: 1.3
  • Topological Polar Surface Area: 38A^2

Experimental Properties

  • Density: 1.16
  • Melting Point: Not available
  • Boiling Point: 338.9°C at 760 mmHg
  • Flash Point: 158.7°C
  • Refractive Index: 1.604
  • PSA: 38.05000
  • LogP: 1.36460
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

3-(1H-Pyrazol-1-yl)phenylmethanol Security Information

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

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3-(1H-Pyrazol-1-yl)phenylmethanol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium phosphate hydrate (3:1:1) Catalysts: Iron chloride (FeCl3) ,  N1,N2-Dimethyl-1,2-cyclohexanediamine Solvents: Water ;  rt; 24 h, 135 °C
Reference
Iron complex-catalyzed N-arylation of pyrazoles under aqueous medium
Lee, Hang Wai; et al, Tetrahedron Letters, 2009, 50(42), 5868-5871

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium carbonate Catalysts: Cuprous iodide Solvents: N-Methyl-2-pyrrolidone ;  5 h, 210 °C
Reference
Pyrazole-Based PCN Pincer Complexes of Palladium(II): Mono- and Dinuclear Hydroxide Complexes and Ligand Rollover C-H Activation
Bailey, Wilson D.; et al, Organometallics, 2015, 34(16), 3998-4010

3-(1H-Pyrazol-1-yl)phenylmethanol Raw materials

3-(1H-Pyrazol-1-yl)phenylmethanol Preparation Products

3-(1H-Pyrazol-1-yl)phenylmethanol Related Literature

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