Cas no 124050-14-2 (Benzothiazole,2-(chloromethyl)-6-fluoro-)

2-(Chloromethyl)-6-fluorobenzothiazole is a fluorinated benzothiazole derivative featuring a reactive chloromethyl group at the 2-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and functional materials. The presence of both the chloromethyl and fluoro substituents enhances its reactivity, enabling selective modifications for further derivatization. Its stability under controlled conditions and compatibility with various coupling reactions make it a valuable building block for constructing complex heterocyclic frameworks. The fluorine atom contributes to improved metabolic stability and binding affinity in bioactive molecules. Proper handling is required due to the reactivity of the chloromethyl group.
Benzothiazole,2-(chloromethyl)-6-fluoro- structure
124050-14-2 structure
Product Name:Benzothiazole,2-(chloromethyl)-6-fluoro-
CAS No:124050-14-2
MF:C8H5ClFNS
MW:201.648402929306
CID:104814
PubChem ID:10774450
Update Time:2025-06-08

Benzothiazole,2-(chloromethyl)-6-fluoro- Chemical and Physical Properties

Names and Identifiers

    • Benzothiazole,2-(chloromethyl)-6-fluoro-
    • 2-chloromethyl-6-fluorobenzothiazole
    • Benzothiazole, 2-(chloromethyl)-6-fluoro- (9CI)
    • SCHEMBL8465212
    • 2-(Chloromethyl)-6-fluoro-1,3-benzothiazole
    • AKOS017561294
    • 124050-14-2
    • 2-(chloromethyl)-6-fluorobenzo[d]thiazole
    • 2-Chloromethyl-6-fluorobenzo[d]thiazole, 97%
    • Benzothiazole, 2-(chloromethyl)-6-fluoro-
    • DB-274748
    • Inchi： 1S/C8H5ClFNS/c9-4-8-11-6-2-1-5(10)3-7(6)12-8/h1-3H,4H2
    • InChI Key： NRIXPAHXATYPCR-UHFFFAOYSA-N
    • SMILES： ClCC1=NC2C=CC(=CC=2S1)F

Computed Properties

  • Exact Mass: 200.98165
  • Monoisotopic Mass: 200.9815262g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 169
  • 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: 2.9
  • Topological Polar Surface Area: 41.1?2

Experimental Properties

  • PSA: 12.89

Benzothiazole,2-(chloromethyl)-6-fluoro- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1763160-250mg
2-(Chloromethyl)-6-fluorobenzo[d]thiazole
 124050-14-2 98%
250mg
 ￥9090.00 2024-08-09

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