Cas no 155377-19-8 (ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate)

Ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate is a fluorinated pyrazole derivative with significant utility in pharmaceutical and agrochemical synthesis. Its trifluoromethyl group enhances lipophilicity and metabolic stability, making it a valuable intermediate for bioactive compounds. The ester functionality allows for further derivatization, enabling the introduction of diverse pharmacophores. This compound exhibits high purity and consistent reactivity, facilitating its use in heterocyclic chemistry and cross-coupling reactions. Its structural features contribute to improved binding affinity in target molecules, particularly in the development of kinase inhibitors and antimicrobial agents. The compound is supplied under strict quality control to ensure reproducibility in research and industrial applications.
ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate structure
155377-19-8 structure
Product Name:ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
CAS No:155377-19-8
MF:C7H7F3N2O2
MW:208.137892007828
MDL:MFCD00052083
CID:65402
PubChem ID:24885663
Update Time:2025-05-27

ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate
    • 3-(Trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester
    • Ethyl 3-trifluoromethyl-1H-pyrazole-4-carboxylate
    • ethyl3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
    • Ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
    • BUTTPARK 29\06-81
    • Ethyl 3-(trifluoromethyl)pyrazole-4-c
    • ETHYL 3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-
    • Ethyl3-(trifluoromethyl)pyrazole-4-carboxylate97%
    • Ethyl 3-(trifluoromethyl)pyrazole-4-carboxylate 97%
    • ETHYL 3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE
    • Ethyl3-trifluoromethyl-1H-pyrazole-4-carboxylate,97%
    • Ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate 97%
    • 3-(TRIFLUOROMETHYL)PYRAZOLE-4-CARBOXYLIC ACID, ETHYL ESTER
    • 5-Trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester
    • 3-Trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester
    • FS-1167
    • MLS000851468
    • ethyl 3-trifluoromethylpyrazole-4-carboxylate
    • DTXSID10344346
    • CCG-53318
    • ethyl-3-(trifluoromethyl)pyrazole-4-carboxylate
    • Z959151560
    • 155377-19-8
    • BDBM14782
    • EN300-73322
    • MFCD00052083
    • W-201402
    • AMY4850
    • SR-01000642487-1
    • HMS552M19
    • HY-34497
    • E1024
    • Ethyl 3- (trifluoromethyl)-1H-pyrazole-4-carboxylate, 97%
    • ethyl 3-(trifluoromethyl)-2H-pyrazole-4-carboxylate
    • Ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate #
    • T9Y
    • 3-(Trifluoromethyl)-1H-pyrazole-4-carboxylic acid ethyl ester
    • SCHEMBL69229
    • FT-0626004
    • AKOS005072758
    • A809637
    • Pyrazole carboxylic ester 5
    • HMS2809A16
    • SMR000457911
    • ethyl 3-(trifluoromethyl)-pyrazole-4-carboxylate
    • 5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid ethyl ester
    • Maybridge1_003979
    • TD8156
    • 1H-Pyrazole-4-carboxylic acid, 3-(trifluoromethyl)-, ethyl ester
    • AKOS005257834
    • FA-0246
    • CS-D1709
    • BRD-K43262899-001-10-3
    • AC-4836
    • 3-(trifluoromethyl)-4-ethyoxycarbonyl-1H-pyrazole
    • CHEMBL1607482
    • STL556214
    • BBL102412
    • ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
    • MDL： MFCD00052083
    • Inchi： 1S/C7H7F3N2O2/c1-2-14-6(13)4-3-11-12-5(4)7(8,9)10/h3H,2H2,1H3,(H,11,12)
    • InChI Key： VYXIHSAEOXPAEY-UHFFFAOYSA-N
    • SMILES： FC(C1=C(C(=O)OCC)C=NN1)(F)F

Computed Properties

  • Exact Mass: 208.04600
  • Monoisotopic Mass: 208.045962
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 220
  • 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: 4
  • XLogP3: 1.4
  • Topological Polar Surface Area: 55

Experimental Properties

  • Color/Form: White crystalline powder
  • Density: 1.397
  • Melting Point: 143.0 to 147.0 deg-C
  • Boiling Point: 301.3±42.0 °C at 760 mmHg
  • Flash Point: 136.0±27.9 °C
  • Refractive Index: 1.57
  • PSA: 54.98000
  • LogP: 1.60520
  • Solubility: Insoluble in water

ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate Security Information

  • Symbol: GHS07
  • Prompt：warning
  • Signal Word：Warning
  • Hazard Statement： H315,H319,H335
  • Warning Statement： P261,P305+P351+P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S26-S36/37/39
  • Hazardous Material Identification： Xi
  • Safety Term：S22;S24/25
  • Risk Phrases：R36/37/38
  • Storage Condition：Store at 4°C,-4At ℃Store…Better

ethyl 3-(trifluoromethyl)-1H-pyrazole-4-carboxylate 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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