Benzo[b]thiophene, 4-chloro-


Chemical Name: Benzo[b]thiophene, 4-chloro-
CAS Number: 66490-33-3
Product Number: AG0036U1(AGN-PC-0NIWMN)
Synonyms:
MDL No:
Molecular Formula: C8H5ClS
Molecular Weight: 168.6433

Identification/Properties


Properties
BP:
261.5±13.0°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
168.638g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
167.98g/mol
Monoisotopic Mass:
167.98g/mol
Topological Polar Surface Area:
28.2A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
126
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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Chemical Structure



4-Chlorobenzothiophene, a key intermediate in organic chemistry, plays a crucial role in chemical synthesis processes. This compound serves as a versatile building block in the development of various pharmaceuticals, agrochemicals, and materials. Due to its unique structural properties, 4-Chlorobenzothiophene is commonly employed in the synthesis of biologically active molecules, such as pharmaceutical drugs and agrochemicals. This compound's reactivity and functional groups make it an essential component in the development of new synthetic routes and the modification of existing chemical structures. Additionally, 4-Chlorobenzothiophene is utilized as a precursor in the production of specialty chemicals and materials with specific applications in industries such as pharmaceuticals, materials science, and agrochemicals. Its diverse chemical properties and compatibility with various synthetic methodologies make it a valuable tool for chemists and researchers in the field of organic synthesis.