Cas no 791594-34-8 (2-Chloro-5,7-difluorobenzo[d]thiazole)

2-Chloro-5,7-difluorobenzo[d]thiazole is a fluorinated heterocyclic compound featuring a benzo[d]thiazole core substituted with chlorine and fluorine atoms at the 2, 5, and 7 positions. This structure imparts unique electronic and steric properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The presence of fluorine enhances metabolic stability and lipophilicity, while the chloro substituent offers reactivity for further functionalization. Its high purity and well-defined structure ensure consistent performance in cross-coupling reactions and other transformations. This compound is particularly useful in the development of bioactive molecules, where precise halogenation patterns are critical for optimizing activity and selectivity.
2-Chloro-5,7-difluorobenzo[d]thiazole structure
791594-34-8 structure
Product Name:2-Chloro-5,7-difluorobenzo[d]thiazole
CAS No:791594-34-8
MF:C7H2ClF2NS
MW:205.612286090851
CID:555606
PubChem ID:21985747
Update Time:2025-06-09

2-Chloro-5,7-difluorobenzo[d]thiazole Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-5,7-difluorobenzo[d]thiazole
    • 2-chloro-5,7-difluoro-1,3-benzothiazole
    • 2-Chloro-5,7-difluorobenzothiazole
    • Benzothiazole,2-chloro-5,7-difluoro-
    • 2-(2-Chloroacetylamino)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylicacidethylester
    • DTXSID20621195
    • A839602
    • Y13564
    • 791594-34-8
    • MFCD08459000
    • SCHEMBL1748051
    • FT-0688548
    • MSDJYMDOERLSEH-UHFFFAOYSA-N
    • 2-Chloro-5,7-difluoro-benzothiazole
    • 2-Chloro-5,7-difluorobenzothiazole (ACI)
    • DB-027965
    • Inchi： 1S/C7H2ClF2NS/c8-7-11-5-2-3(9)1-4(10)6(5)12-7/h1-2H
    • InChI Key： MSDJYMDOERLSEH-UHFFFAOYSA-N
    • SMILES： FC1C=C2C(SC(=N2)Cl)=C(F)C=1

Computed Properties

  • Exact Mass: 204.95600
  • Monoisotopic Mass: 204.956
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 183
  • 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: 41.1A^2
  • XLogP3: 3.5

Experimental Properties

  • PSA: 41.13000
  • LogP: 3.22790

2-Chloro-5,7-difluorobenzo[d]thiazole Pricemore >>

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Chemenu
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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
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