Thiophene, 3-chloro-


Chemical Name: Thiophene, 3-chloro-
CAS Number: 17249-80-8
Product Number: AG00388X(AGN-PC-0JLWIT)
Synonyms:
MDL No: MFCD00043887
Molecular Formula: C4H3ClS
Molecular Weight: 118.5846

Identification/Properties


Computed Properties
Molecular Weight:
118.578g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
117.964g/mol
Monoisotopic Mass:
117.964g/mol
Topological Polar Surface Area:
28.2A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
46.8
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


GHS Pictogram:
Signal Word:
Danger
UN#:
1993
Hazard Statements:
H226-H302-H315-H318-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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Chemical Structure



3-Chlorothiophene, also known as 3-chloro-2,5-dihydrothiophene, is a key building block in chemical synthesis with a wide range of applications. This compound is commonly utilized in the pharmaceutical industry as a valuable intermediate in the synthesis of various pharmaceutical compounds. Its unique molecular structure and reactivity make it an important reagent in the production of pharmaceutical drugs, agrochemicals, and other fine chemicals. Additionally, 3-Chlorothiophene plays a crucial role in the development of advanced materials such as liquid crystals and polymers. Its versatility and compatibility with a variety of chemical reactions make it a highly sought-after compound in the field of organic synthesis.