Cas no 175137-14-1 (1H-Pyrazole-4-carbonylchloride, 1-phenyl-5-(trifluoromethyl)-)

1H-Pyrazole-4-carbonylchloride, 1-phenyl-5-(trifluoromethyl)-, is a versatile intermediate in organic synthesis, particularly valued for its reactive carbonyl chloride group and trifluoromethyl-substituted pyrazole core. The presence of the phenyl and trifluoromethyl groups enhances its utility in constructing pharmacologically active compounds, agrochemicals, and specialty materials. Its high reactivity enables efficient acylation and condensation reactions, making it a preferred choice for introducing the 1-phenyl-5-(trifluoromethyl)pyrazole moiety into target molecules. The trifluoromethyl group contributes to improved metabolic stability and lipophilicity in derived compounds. This reagent is particularly useful in medicinal chemistry for developing bioactive molecules with enhanced properties. Proper handling under anhydrous conditions is recommended due to its moisture sensitivity.
1H-Pyrazole-4-carbonylchloride, 1-phenyl-5-(trifluoromethyl)- structure
175137-14-1 structure
Product Name:1H-Pyrazole-4-carbonylchloride, 1-phenyl-5-(trifluoromethyl)-
CAS No:175137-14-1
MF:C11H6ClF3N2O
MW:274.626351833344
MDL:MFCD00068139
CID:135379
PubChem ID:2776445
Update Time:2025-08-05

1H-Pyrazole-4-carbonylchloride, 1-phenyl-5-(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-4-carbonylchloride, 1-phenyl-5-(trifluoromethyl)-
    • 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride
    • 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl chloride
    • 1-phenyl-5-(trifluoromethyl)-4-pyrazolecarbonyl chloride
    • BUTTPARK 36\06-06
    • TIMTEC-BB SBB001093
    • 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl
    • 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carbonylchloride97%
    • 1-Phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl chloride 97%
    • 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonylchloride97%
    • 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride 97%
    • AKOS015840699
    • 1-phenyl-5-trifluoromethyl-1h-pyrazole-4-carbonyl chloride
    • 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride, AldrichCPR
    • PS-10709
    • 1H-Pyrazole-4-carbonylchloride,1-phenyl-5-(trifluoromethyl)-
    • DTXSID70380083
    • 175137-14-1
    • FT-0608248
    • phenyl-5-trifluoromethyl-1h-pyrazole-4-carbonyl chloride
    • BP-11224
    • 1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbonylchloride
    • A811773
    • SCHEMBL1226618
    • MFCD00068139
    • 1H-Pyrazole-4-carbonyl chloride, 1-phenyl-5-(trifluoromethyl)-
    • 1-PHENYL-5-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBONYLCHLORIDE
    • DB-015439
    • G77805
    • MDL: MFCD00068139
    • Inchi: 1S/C11H6ClF3N2O/c12-10(18)8-6-16-17(9(8)11(13,14)15)7-4-2-1-3-5-7/h1-6H
    • InChI Key: FSZPLNSWCMTQRJ-UHFFFAOYSA-N
    • SMILES: ClC(C1C=NN(C2C=CC=CC=2)C=1C(F)(F)F)=O

Computed Properties

  • Exact Mass: 274.01200
  • Monoisotopic Mass: 274.012
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 318
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.3
  • Topological Polar Surface Area: 34.9?2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.55
  • Melting Point: 40 °C
  • Boiling Point: 110 °C
  • Flash Point: 175.3°C
  • Refractive Index: 1.556
  • PSA: 34.89000
  • LogP: 3.27010
  • Solubility: Not determined

1H-Pyrazole-4-carbonylchloride, 1-phenyl-5-(trifluoromethyl)- Security Information

  • Hazard Statement: Irritant
  • Hazardous Material transportation number:3265
  • Hazard Category Code: 34
  • Safety Instruction: S26-S36/37/39
  • Hazardous Material Identification: Xi C
  • HazardClass:CORROSIVE
  • Risk Phrases:R34
  • Safety Term:S26;S36/37/39;S45

1H-Pyrazole-4-carbonylchloride, 1-phenyl-5-(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%

1H-Pyrazole-4-carbonylchloride, 1-phenyl-5-(trifluoromethyl)- Pricemore >>

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Additional information on 1H-Pyrazole-4-carbonylchloride, 1-phenyl-5-(trifluoromethyl)-

1H-Pyrazole-4-carbonylchloride, 1-phenyl-5-(trifluoromethyl)

The compound 1H-Pyrazole-4-carbonylchloride, 1-phenyl-5-(trifluoromethyl), with CAS No. 175137-14-1, is a highly specialized organic compound that has garnered significant attention in the fields of organic synthesis, materials science, and pharmaceutical research. This compound is notable for its unique chemical structure, which combines a pyrazole ring with a phenyl group and a trifluoromethyl substituent. The presence of the carbonyl chloride group further enhances its reactivity and versatility in various chemical reactions.

Pyrazole derivatives have been extensively studied due to their potential as building blocks in the synthesis of bioactive molecules. The trifluoromethyl group is particularly valuable in medicinal chemistry, as it can impart lipophilicity and improve drug absorption profiles. Recent studies have demonstrated that compounds like 1H-Pyrazole-4-carbonylchloride, 1-phenyl-5-(trifluoromethyl) can serve as intermediates in the development of novel anticancer agents and inhibitors of key enzymes involved in metabolic disorders.

The synthesis of this compound typically involves a multi-step process, often starting with the preparation of the pyrazole ring. Researchers have explored various methodologies to optimize the yield and purity of this compound, including the use of microwave-assisted synthesis and catalytic systems. These advancements have significantly improved the efficiency of production, making it more accessible for large-scale applications.

In terms of chemical properties, 1H-Pyrazole-4-carbonylchloride, 1-phenyl-5-(trifluoromethyl) exhibits high thermal stability and reactivity towards nucleophilic attack. Its ability to form stable amides and esters has made it a valuable reagent in peptide synthesis and polymer chemistry. Recent research has also highlighted its potential as a precursor for the development of advanced materials, such as stimuli-responsive polymers and organic semiconductors.

The application of this compound extends beyond traditional chemical synthesis. For instance, it has been employed in the development of sensors for environmental monitoring, leveraging its ability to selectively bind to certain analytes. Additionally, its role in catalysis has been explored, with studies showing that it can act as a Lewis acid catalyst in asymmetric synthesis reactions.

From an environmental perspective, understanding the degradation pathways of 1H-Pyrazole-4-carbonylchloride, 1-phenyl-5-(trifluoromethyl) is crucial for assessing its impact on ecosystems. Recent investigations have revealed that this compound undergoes rapid hydrolysis under alkaline conditions, minimizing its persistence in aqueous environments. However, further research is required to fully characterize its biodegradation processes and potential risks to aquatic life.

In conclusion, 1H-Pyrazole-4-carbonylchloride, 1-phenyl-5-(trifluoromethyl) (CAS No. 175137-14-1) is a versatile and highly functionalized compound with wide-ranging applications across multiple disciplines. Its unique chemical properties and reactivity make it an invaluable tool for researchers seeking to develop innovative solutions in drug discovery, materials science, and environmental technology.

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