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5-Chlorothiophene-2-carboxylic acid

Catalog Number
ACM24065336-1
CAS Number
24065-33-6
Product Name
5-Chlorothiophene-2-carboxylic acid
Structure
Category
Electroluminescence Materials
Synonyms
2-Thiophenecarboxylic acid, 5-chloro-;5-chlorothiophenecarboxylic acid
IUPAC Name
5-chlorothiophene-2-carboxylic acid
Molecular Weight
162.59g/mol
Molecular Formula
C5H3ClO2S
Canonical SMILES
C1=C(SC(=C1)Cl)C(=O)O
InChI
InChI=1S/C5H3ClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
InChI Key
QZLSBOVWPHXCLT-UHFFFAOYSA-N
Melting Point
154-158°C
Purity
98%
Appearance
Gray Solid
Application
5-Chlorothiophene-2-carboxylic acid, a white to light yellow crystal powder, serves several purposes in various chemical and pharmaceutical applications. It is essential in the synthesis of rivaroxaban, an oxazolidinone derivative used to treat thromboembolic disorders, and 5-chloro-4-nitrothiophene-2-carboxylic acid, which is instrumental in the creation of thieno[2,3-b][1,4]thiapezine-5-ones. Additionally, this compound acts as a biochemical reagent and can be utilized as a biological material or organic compound for life science-related research. It also functions as a ligand in the synthesis of new mono and binuclear Ruthenium(II) complexes.
Complexity
128
Covalently-Bonded Unit Count
1
EC Number
480-060-6;607-311-6
Exact Mass
161.954228g/mol
Formal Charge
0
Heavy Atom Count
9
Monoisotopic Mass
161.954228g/mol
NSC Number
14776
Rotatable Bond Count
1
XLogP3
2.4
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