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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-4-hydroxy-5-nitro-, methyl ester

COC(=O)c1cc(Br)c(c(c1)[N+](=O)[O-])O Request for Quotation
Chemical Name: Benzoic acid, 3-bromo-4-hydroxy-5-nitro-, methyl ester
CAS Number: 40258-72-8
Product Number: AG00C8T6(AGN-PC-003795)
Synonyms:
MDL No: MFCD08689690
Molecular Formula: C8H6BrNO5
Molecular Weight: 276.0409

Identification/Properties

Properties
MP:
131-133
BP:
315.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
276.042g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
274.943g/mol
Monoisotopic Mass:
274.943g/mol
Topological Polar Surface Area:
92.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
266
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-bromo-4-hydroxy-5-nitrobenzoate is a versatile compound widely used in chemical synthesis. This compound serves as a valuable building block in organic chemistry, particularly in the synthesis of pharmaceuticals and agrochemicals. The presence of nitro and bromo functionalities in Methyl 3-bromo-4-hydroxy-5-nitrobenzoate provides synthetic chemists with various opportunities for molecular design and modification. Its reactivity allows for the attachment of diverse functional groups, making it a crucial intermediate in the preparation of complex organic molecules. Additionally, this compound's unique structure imparts specific properties that are beneficial for designing and developing novel compounds with desired biological activities. In summary, the application of Methyl 3-bromo-4-hydroxy-5-nitrobenzoate in chemical synthesis offers a strategic approach for accessing a diverse array of functionalized molecules with potential applications in various fields.