Cas no 79247-83-9 (2-Thiazolecarboxylicacid,5-bromo-4-(trifluoromethyl)-,methylester(9CI))

2-Thiazolecarboxylic acid, 5-bromo-4-(trifluoromethyl)-, methyl ester (9CI) is a specialized heterocyclic compound featuring a thiazole core substituted with bromo and trifluoromethyl groups, along with a methyl ester functionality. This structure imparts unique reactivity, making it valuable in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The bromo and trifluoromethyl substituents enhance electrophilic character, facilitating selective cross-coupling reactions, while the ester group offers versatility for further derivatization. Its stability under standard conditions and compatibility with common reagents make it a practical intermediate for constructing complex molecules. The compound is particularly useful in medicinal chemistry for designing bioactive scaffolds.
2-Thiazolecarboxylicacid,5-bromo-4-(trifluoromethyl)-,methylester(9CI) structure
79247-83-9 structure
Product Name:2-Thiazolecarboxylicacid,5-bromo-4-(trifluoromethyl)-,methylester(9CI)
CAS No:79247-83-9
MF:C6H3BrF3NO2S
MW:290.057729959488
MDL:MFCD11506343
CID:984610
PubChem ID:53408634
Update Time:2025-06-08

2-Thiazolecarboxylicacid,5-bromo-4-(trifluoromethyl)-,methylester(9CI) Chemical and Physical Properties

Names and Identifiers

    • 2-Thiazolecarboxylicacid,5-bromo-4-(trifluoromethyl)-,methylester(9CI)
    • methyl 5-bromo-4-(trifluoromethyl)-1,3-thiazole-2-carboxylate
    • 2-thiazolecarboxylic acid,5-bromo-4-(trifluoromethyl)-,methyl ester
    • KB-176232
    • methyl 5-bromo-4-trifluoromethylthiazole-2-carboxylate
    • METHYL 5-BROMO-4-TRIFLUOROMETHYL-THIAZOLE-2-CARBOXYLATE
    • 79247-83-9
    • SB38793
    • CS-0340569
    • DTXSID40696365
    • Methyl 5-bromo-4-(trifluoromethyl)thiazole-2-carboxylate
    • Methyl5-bromo-4-(trifluoromethyl)thiazole-2-carboxylate
    • C6H3BrF3NO2S
    • DB-255253
    • MDL： MFCD11506343
    • Inchi： 1S/C6H3BrF3NO2S/c1-13-5(12)4-11-2(3(7)14-4)6(8,9)10/h1H3
    • InChI Key： FAPZBEQEVDOFCG-UHFFFAOYSA-N
    • SMILES： BrC1=C(C(F)(F)F)N=C(C(=O)OC)S1

Computed Properties

  • Exact Mass: 288.90200
  • Monoisotopic Mass: 288.902
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 238
  • 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
  • Topological Polar Surface Area: 67.4A^2
  • XLogP3: 3.1

Experimental Properties

  • PSA: 67.43000
  • LogP: 2.71100

2-Thiazolecarboxylicacid,5-bromo-4-(trifluoromethyl)-,methylester(9CI) Customs Data

  • HS CODE：2934100090
  • Customs Data：

    China Customs Code:

    2934100090

    Overview:

    2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

2-Thiazolecarboxylicacid,5-bromo-4-(trifluoromethyl)-,methylester(9CI) Pricemore >>

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