Cas no 2089326-05-4 (4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole)

4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole is a fluorinated heterocyclic compound with significant utility in agrochemical and pharmaceutical synthesis. Its key structural features—a chloro substituent at the 4-position and a trifluoromethyl group at the 3-position—enhance reactivity and stability, making it a versatile intermediate for constructing complex molecules. The trifluoromethyl group imparts lipophilicity and metabolic resistance, while the chloro substituent facilitates further functionalization via cross-coupling or nucleophilic substitution. This compound is particularly valuable in the development of crop protection agents due to its ability to improve bioavailability and target specificity. Its well-defined purity and consistent performance make it a reliable choice for research and industrial applications.
4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole structure
2089326-05-4 structure
Product Name:4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CAS No:2089326-05-4
MF:C5H4ClF3N2
MW:184.546870231628
CID:6801710
PubChem ID:21219907
Update Time:2025-05-28

4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole Chemical and Physical Properties

Names and Identifiers

    • WGUQGMKOHDUVER-UHFFFAOYSA-N
    • G69108
    • 2089326-05-4
    • SCHEMBL2611110
    • 4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole
    • Inchi: 1S/C5H4ClF3N2/c1-11-2-3(6)4(10-11)5(7,8)9/h2H,1H3
    • InChI Key: WGUQGMKOHDUVER-UHFFFAOYSA-N
    • SMILES: ClC1=CN(C)N=C1C(F)(F)F

Computed Properties

  • Exact Mass: 184.0015103g/mol
  • Monoisotopic Mass: 184.0015103g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 149
  • 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: 1.8
  • Topological Polar Surface Area: 17.8?2

4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI XIAN DING Biotechnology Co., Ltd.
X196497A-100mg
4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole
2089326-05-4 0.97
100mg
¥1189.8 2024-07-24
SHANG HAI XIAN DING Biotechnology Co., Ltd.
X196497A-250mg
4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole
2089326-05-4 0.97
250mg
¥2021.4 2024-07-24
SHANG HAI XIAN DING Biotechnology Co., Ltd.
X196497A-1g
4-Chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole
2089326-05-4 0.97
1g
¥5455.8 2024-07-24
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