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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)-

3-bromo-5-methoxycarbonylbenzoic acid

COC(=O)c1cc(Br)cc(c1)C(=O)[O-] Request for Quotation
Chemical Name: 3-bromo-5-methoxycarbonylbenzoic acid
CAS Number: 161796-10-7
Product Number: AG001VW1(AGN-PC-03RRZ7)
Synonyms:
MDL No: MFCD06797598
Molecular Formula: C9H6BrO4-
Molecular Weight: 258.0455

Identification/Properties

Properties
BP:
385.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
259.055g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
257.953g/mol
Monoisotopic Mass:
257.953g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
241
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-Bromo-5-(methoxycarbonyl)benzoic acid is a versatile compound widely utilized in chemical synthesis for its unique properties and reactivity. This compound serves as a valuable building block in the preparation of a variety of organic molecules through various synthetic routes.One key application of 3-Bromo-5-(methoxycarbonyl)benzoic acid is in the synthesis of complex pharmaceutical compounds. By utilizing this compound as a starting material, chemists can introduce specific functional groups and structural motifs into the target molecules, enabling the development of novel drugs with enhanced potency and selectivity.Furthermore, 3-Bromo-5-(methoxycarbonyl)benzoic acid plays a crucial role in the construction of advanced materials such as liquid crystals, polymers, and dyes. Its ability to undergo selective chemical transformations allows for the precise modification of molecular structure, leading to the creation of materials with tailored properties and performance characteristics.In addition, this compound is widely employed in academic research and industrial applications for the synthesis of intermediate compounds and new chemical entities. Its versatility and reactivity make it a valuable tool for exploring new reaction pathways and developing innovative chemical processes.Overall, the application of 3-Bromo-5-(methoxycarbonyl)benzoic acid in chemical synthesis highlights its significance as a key building block in the creation of diverse organic compounds with pharmaceutical, materials, and research applications.