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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, 3-chloro-5-fluoro-, methyl ester

COC(=O)c1cc(F)cc(c1)Cl Request for Quotation
Chemical Name: Benzoic acid, 3-chloro-5-fluoro-, methyl ester
CAS Number: 327056-75-7
Product Number: AG00CLSM(AGN-PC-03I28Z)
Synonyms:
MDL No:
Molecular Formula: C8H6ClFO2
Molecular Weight: 188.5834

Identification/Properties

Properties
BP:
237.143°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
188.582g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
188.004g/mol
Monoisotopic Mass:
188.004g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
174
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 3-chloro-5-fluorobenzoate is a versatile compound commonly used in chemical synthesis as a key building block in the production of various pharmaceuticals, agrochemicals, and advanced materials. Due to its unique structure, this compound serves as a valuable intermediate in the synthesis of complex organic molecules, facilitating the introduction of both chlorine and fluorine functional groups into the target compounds.In chemical synthesis, Methyl 3-chloro-5-fluorobenzoate plays a crucial role in the formation of diverse chemical structures through its reactivity and versatility. It can undergo various transformations such as substitution reactions, coupling reactions, and functional group interconversions to yield a wide range of final products with tailored properties and functionalities. This compound's ability to selectively react with different reagents and functional groups allows chemists to control the synthesis process and design molecules with specific characteristics and activities.The application of Methyl 3-chloro-5-fluorobenzoate in chemical synthesis extends to the development of pharmaceutical agents, where its incorporation into drug molecules can enhance their potency, selectivity, and pharmacokinetic profiles. Additionally, this compound is utilized in the preparation of agrichemicals with improved efficacy and environmental safety. Its role in material science also contributes to the creation of advanced materials with desired mechanical, optical, or electronic properties.Overall, Methyl 3-chloro-5-fluorobenzoate serves as a fundamental building block for the efficient synthesis of diverse chemical compounds, enabling researchers and chemists to explore new avenues in drug discovery, agriculture, and materials science. Its versatility, reactivity, and utility make it a valuable component in modern synthetic chemistry endeavors.