2-Thiophenecarboxylic acid, 4,5-dichloro-3-hydroxy-, methyl ester


Chemical Name: 2-Thiophenecarboxylic acid, 4,5-dichloro-3-hydroxy-, methyl ester
CAS Number: 96232-70-1
Product Number: AG005VBZ(AGN-PC-0ABJPK)
Synonyms:
MDL No:
Molecular Formula: C6H4Cl2O3S
Molecular Weight: 227.0652

Identification/Properties


Properties
BP:
282.8°C at 760 mmHg
Storage:
Light sensitive;Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
227.055g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
225.926g/mol
Monoisotopic Mass:
225.926g/mol
Topological Polar Surface Area:
74.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
190
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:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



Methyl 4,5-dichloro-3-hydroxythiophene-2-carboxylate is a versatile compound that finds extensive application in chemical synthesis processes. This compound serves as a crucial building block in the creation of various functional materials and pharmaceutical intermediates. Due to its unique structure and properties, it acts as a key intermediate in the synthesis of complex organic molecules. Specifically, Methyl 4,5-dichloro-3-hydroxythiophene-2-carboxylate is utilized as a valuable reagent in the creation of novel drug candidates, agrochemicals, and advanced materials. Its presence in the chemical synthesis process enables the formation of diverse chemical structures with specific functionalities, making it a valuable tool for researchers and chemists alike.