Cas no 111079-04-0 (1H-Pyrazole,5-methyl-1-phenyl-3-(trifluoromethyl)-)

1H-Pyrazole,5-methyl-1-phenyl-3-(trifluoromethyl)- structure
111079-04-0 structure
Product Name:1H-Pyrazole,5-methyl-1-phenyl-3-(trifluoromethyl)-
CAS No:111079-04-0
MF:C11H9F3N2
MW:226.197772741318
CID:129098
PubChem ID:2782549
Update Time:2025-04-18

1H-Pyrazole,5-methyl-1-phenyl-3-(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole,5-methyl-1-phenyl-3-(trifluoromethyl)-
    • 3-TRIFLUOROMETHYL-5-METHYL-1-(PHENYL)PYRAZOLE
    • 3-TRIFLUOROMETHYL-5-METHYL-1-PHENYLPYRAZOLE
    • 5-methyl-1-phenyl-3-(trifluoromethyl)pyrazole
    • 3-trifluoromethyl-5-methyl-1-phenyl-1H-pyrazole
    • 5-methyl-1-phenyl-3-trifluoromethyl-1H-pyrazole
    • 5-methyl-1-phenyl-3-trifluoromethylpyrazole
    • PC4778
    • AKOS016015971
    • 1-Phenyl-5-methyl-3-(trifluoromethyl)pyrazole
    • 1-phenyl-3-(trifluoromethyl)-5-methylpyrazole
    • 111079-04-0
    • SCHEMBL4666357
    • A802289
    • 1-Phenyl-5(3)-methyl-3(5)-(trifluoromethyl)pyrazole
    • 5-methyl-1-phenyl-3-(trifluoromethyl)-1H-pyrazole
    • MFCD00198024
    • DTXSID90382145
    • 1-phenyl-3-(trifiuoromethyl)-5-methylpyrazole
    • Inchi： 1S/C11H9F3N2/c1-8-7-10(11(12,13)14)15-16(8)9-5-3-2-4-6-9/h2-7H,1H3
    • InChI Key： LCAPJOUZZHOYRU-UHFFFAOYSA-N
    • SMILES： FC(C1C=C(C)N(C2C=CC=CC=2)N=1)(F)F

Computed Properties

  • Exact Mass: 226.07200
  • Monoisotopic Mass: 226.07178278g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 236
  • 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: 3.2
  • Topological Polar Surface Area: 17.8?2

Experimental Properties

  • PSA: 17.82000
  • LogP: 3.19950

1H-Pyrazole,5-methyl-1-phenyl-3-(trifluoromethyl)- Security Information

  • Hazard Statement： Irritant
  • Hazardous Material Identification： Xi
  • Safety Term：Hazard Codes XiHazard Note Irritant

1H-Pyrazole,5-methyl-1-phenyl-3-(trifluoromethyl)- 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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