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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-bromo-5-hydroxy-, methyl ester

COC(=O)c1cc(O)cc(c1)Br Request for Quotation
Chemical Name: Benzoic acid, 3-bromo-5-hydroxy-, methyl ester
CAS Number: 192810-12-1
Product Number: AG002GD8(AGN-PC-09PZ5N)
Synonyms:
MDL No:
Molecular Formula: C8H7BrO3
Molecular Weight: 231.0434

Identification/Properties

Properties
MP:
130-135℃
BP:
331.251°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
231.045g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
229.958g/mol
Monoisotopic Mass:
229.958g/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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 3-bromo-5-hydroxybenzoate is a versatile compound that finds a wide range of applications in chemical synthesis. This compound serves as a valuable building block in the development of pharmaceuticals, agrochemicals, and various functional materials. Due to its unique structure, Methyl 3-bromo-5-hydroxybenzoate can participate in a variety of reactions, such as esterification, Friedel-Crafts acylation, nucleophilic substitution, and palladium-catalyzed coupling reactions. In pharmaceutical synthesis, this compound can be utilized for the preparation of novel drug candidates and intermediates, contributing to the discovery of new therapeutic agents. Furthermore, in agrochemical research, Methyl 3-bromo-5-hydroxybenzoate can be employed to design potent pesticides and herbicides. Its involvement in chemical synthesis extends to the creation of specialized materials with tailored properties for applications in fields such as materials science and catalysis.