Benzoic acid, dichloro-, methyl ester


Chemical Name: Benzoic acid, dichloro-, methyl ester
CAS Number: 2905-54-6
Product Number: AG002VC1(AGN-PC-0JLPUU)
Synonyms:
MDL No:
Molecular Formula: C8H6Cl2O2
Molecular Weight: 205.0380

Identification/Properties


Properties
MP:
33-38 °C
BP:
270°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5537
Computed Properties
Molecular Weight:
205.034g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
203.974g/mol
Monoisotopic Mass:
203.974g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
172
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



Methyl 2,3-dichlorobenzoate is a versatile compound commonly used in chemical synthesis as a key intermediate in the production of various pharmaceuticals, agrochemicals, and other fine chemicals. With its unique structure and reactivity, this compound serves as a building block in the preparation of complex organic molecules through various synthetic routes.One of the primary applications of Methyl 2,3-dichlorobenzoate lies in its ability to undergo nucleophilic substitution reactions, where the chlorine atoms act as leaving groups in the formation of new carbon-carbon or carbon-heteroatom bonds. This reactivity makes it a valuable precursor for the synthesis of heterocyclic compounds, such as benzimidazoles and benzothiazoles, which are key structural motifs in many bioactive molecules.Furthermore, Methyl 2,3-dichlorobenzoate can participate in cross-coupling reactions, Suzuki-Miyaura coupling, and other transition metal-catalyzed transformations to introduce various functional groups into the molecule. This allows for the derivatization of the compound to modulate its properties and enhance its compatibility for specific applications.Overall, the strategic use of Methyl 2,3-dichlorobenzoate in chemical synthesis enables chemists to access a diverse array of target molecules with tailored functionalities and properties for applications in pharmaceuticals, agrochemicals, and materials science.