Benzoic acid, 2-chloro-6-methyl-, methyl ester


Chemical Name: Benzoic acid, 2-chloro-6-methyl-, methyl ester
CAS Number: 99585-14-5
Product Number: AG0064WO(AGN-PC-03WY8X)
Synonyms:
MDL No:
Molecular Formula: C9H9ClO2
Molecular Weight: 184.6196

Identification/Properties


Properties
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
184.619g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
184.029g/mol
Monoisotopic Mass:
184.029g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
170
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#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



Methyl 2-chloro-6-methylbenzoate is a versatile compound widely used in chemical synthesis due to its unique reactivity and functional groups. This compound serves as a valuable building block in the creation of various organic molecules, particularly in the pharmaceutical and agrochemical industries. Its chloro and ester functional groups allow for diverse chemical reactions, making it a crucial intermediate in the production of advanced materials and fine chemicals. Specifically, Methyl 2-chloro-6-methylbenzoate is commonly employed in the synthesis of heterocyclic compounds, such as benzothiazoles and benzimidazoles, which have significant biological activities. Its ability to undergo substitution, esterification, and other transformations makes it an indispensable tool for organic chemists seeking to design novel molecules with tailored properties for a range of applications.