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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Benzoic acid, 4-chloro-2-methyl-, methyl ester

COC(=O)c1ccc(cc1C)Cl Request for Quotation
Chemical Name: Benzoic acid, 4-chloro-2-methyl-, methyl ester
CAS Number: 99585-12-3
Product Number: AG00IKBA(AGN-PC-03OG2R)
Synonyms:
MDL No:
Molecular Formula: C9H9ClO2
Molecular Weight: 184.6196

Identification/Properties

Computed Properties
Molecular Weight:
184.619g/mol
XLogP3:
3.4
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 4-chloro-2-methylbenzoate is a versatile compound commonly used in chemical synthesis for its unique properties and reactivity. This compound serves as a crucial building block in the synthesis of various fine chemicals, pharmaceuticals, and agrochemicals. With its distinct structure, Methyl 4-chloro-2-methylbenzoate participates in a wide range of organic reactions, including esterification, substitution, and condensation reactions. Its strategic placement of functional groups makes it a valuable intermediate in the production of complex organic molecules. In the pharmaceutical industry, this compound plays a significant role in the synthesis of active pharmaceutical ingredients (APIs) and drug development. Additionally, Methyl 4-chloro-2-methylbenzoate is utilized in academic research to explore new synthetic pathways and chemical transformations, showcasing its importance in advancing the field of organic chemistry.