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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-hydroxy-, methyl ester

COC(=O)c1cc(O)cc(c1)Cl Request for Quotation
Chemical Name: Benzoic acid, 3-chloro-5-hydroxy-, methyl ester
CAS Number: 98406-04-3
Product Number: AG0068E2(AGN-PC-009YOY)
Synonyms:
MDL No:
Molecular Formula: C8H7ClO3
Molecular Weight: 186.5924

Identification/Properties

Properties
MP:
133-135℃
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
186.591g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
186.008g/mol
Monoisotopic Mass:
186.008g/mol
Topological Polar Surface Area:
46.5A^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

GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 3-chloro-5-hydroxybenzoate is a versatile compound commonly used in chemical synthesis for its unique properties and application in various processes. This compound serves as a valuable building block in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals due to its functional group positioning and reactivity. Specifically, it can be utilized as a key intermediate in the preparation of diverse compounds with biological activity, such as antimicrobial agents, anti-inflammatory drugs, and antioxidants. Moreover, the presence of the chloro and hydroxy groups in Methyl 3-chloro-5-hydroxybenzoate allows for selective chemical modifications, enabling the synthesis of structurally complex molecules with specific functions. In addition, this compound plays a crucial role in the development of novel materials and serves as a precursor for the synthesis of specialty polymers and advanced materials with tailored properties. Its unique reactivity and versatility make Methyl 3-chloro-5-hydroxybenzoate a valuable tool in chemical synthesis for achieving a wide range of functional molecules with diverse applications across various industries.