1,3-Benzenedicarboxylic acid, 4-chloro-


Chemical Name: 1,3-Benzenedicarboxylic acid, 4-chloro-
CAS Number: 2845-85-4
Product Number: AG00BC1U(AGN-PC-0JMJRJ)
Synonyms:
MDL No:
Molecular Formula: C8H5ClO4
Molecular Weight: 200.5759

Identification/Properties


Properties
BP:
424.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
200.574g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
199.988g/mol
Monoisotopic Mass:
199.988g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
228
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

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NMR Spectrum


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Chemical Structure



4-Chloroisophthalic acid is a versatile chemical compound widely utilized in various chemical synthesis processes. Its primary application lies in the field of organic chemistry, where it serves as a key intermediate in the production of specialty chemicals and advanced materials. In chemical synthesis, 4-Chloroisophthalic acid plays a crucial role as a building block for the synthesis of complex organic molecules. Its chloro substituent provides a reactive site for further functionalization, making it a valuable precursor for the preparation of a wide range of functionalized derivatives. This compound is particularly sought after for its ability to undergo diverse chemical reactions, including esterification, amidation, and nucleophilic substitution, leading to the creation of novel compounds with tailored properties.Furthermore, 4-Chloroisophthalic acid is commonly employed in the pharmaceutical industry for the synthesis of drug candidates and active pharmaceutical ingredients (APIs). Its structural versatility and reactivity enable chemists to introduce specific functionalities into the molecular structure, enhancing the biological activity and physicochemical properties of the final products.Overall, the significance of 4-Chloroisophthalic acid in chemical synthesis lies in its ability to serve as a valuable building block for the construction of complex molecules with diverse applications across multiple industries.