Cas no 5198-88-9 (2-bromo-1,3-thiazole-4-carboxylic acid)

2-Bromo-1,3-thiazole-4-carboxylic acid is a heterocyclic compound featuring a bromine-substituted thiazole ring with a carboxylic acid functional group at the 4-position. This structure makes it a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and functional materials. The bromine atom offers a reactive site for further functionalization via cross-coupling reactions, while the carboxylic acid group enables derivatization into esters, amides, or other derivatives. Its high purity and well-defined reactivity profile make it valuable for researchers developing novel thiazole-based compounds. The compound is typically handled under standard laboratory conditions, with stability considerations for the bromine and acid functionalities.
2-bromo-1,3-thiazole-4-carboxylic acid structure
5198-88-9 structure
Product Name:2-bromo-1,3-thiazole-4-carboxylic acid
CAS No:5198-88-9
MF:C4H2BrNO2S
MW:208.033178806305
MDL:MFCD04115729
CID:45607
PubChem ID:2763209
Update Time:2025-08-03

2-bromo-1,3-thiazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Bromothiazole-4-carboxylic acid
    • 2-Bromo-thiazole-4-carboxylic acid
    • 2-Bromo-1,3-thiazole-4-carboxylic Acid
    • 2-Bromo-4-thiazolecarboxylic acid
    • 2-Bromo-1,3-thiazole-4-carboxylicacid
    • 2-bromo-4-thiazolecarboxylic acid, AldrichCPR
    • MFCD04115729
    • BB 0269498
    • SCHEMBL252582
    • BEGREHRAUWCAHV-UHFFFAOYSA-N
    • FS-1426
    • CS-W003188
    • 5198-88-9
    • AB20482
    • 2-bromothiazole-4carboxylic acid
    • AM20100280
    • J-508551
    • AC-3327
    • EN300-118589
    • FT-0600739
    • 4-THIAZOLECARBOXYLIC ACID, 2-BROMO-
    • B4578
    • DTXSID20376810
    • 2-bromo-4-carboxythiazole
    • 2-Bromo-4-thiazolecarboxylicacid
    • AKOS005255282
    • 2-brorno-1,3-thiazole-4-carboxylic acid
    • A7651
    • 2-bromothiazole-4-carboxylicacid
    • SY004497
    • CHEMBL5187638
    • BBL010836
    • STK633378
    • DB-006007
    • ALBB-026644
    • 2-bromo-1,3-thiazole-4-carboxylic acid
    • MDL: MFCD04115729
    • Inchi: 1S/C4H2BrNO2S/c5-4-6-2(1-9-4)3(7)8/h1H,(H,7,8)
    • InChI Key: BEGREHRAUWCAHV-UHFFFAOYSA-N
    • SMILES: BrC1=NC(C(=O)O)=CS1

Computed Properties

  • Exact Mass: 206.89900
  • Monoisotopic Mass: 206.899
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 132
  • 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: 78.4A^2

Experimental Properties

  • Density: 2.062
  • Melting Point: 217°C(lit.)
  • Boiling Point: 350°C at 760 mmHg
  • Flash Point: 165.5℃
  • PSA: 78.43000
  • LogP: 1.60380
  • λmax: 243(MeOH)(lit.)

2-bromo-1,3-thiazole-4-carboxylic acid Security Information

2-bromo-1,3-thiazole-4-carboxylic acid Customs Data

  • HS CODE:29341000

2-bromo-1,3-thiazole-4-carboxylic acid Pricemore >>

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