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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, 2-bromo-4-nitro-, methyl ester

COC(=O)c1ccc(cc1Br)[N+](=O)[O-] Request for Quotation
Chemical Name: Benzoic acid, 2-bromo-4-nitro-, methyl ester
CAS Number: 100959-22-6
Product Number: AG0003AM(AGN-PC-0NKZDN)
Synonyms:
MDL No: MFCD07779271
Molecular Formula: C8H6BrNO4
Molecular Weight: 260.0415

Identification/Properties

Computed Properties
Molecular Weight:
260.043g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
258.948g/mol
Monoisotopic Mass:
258.948g/mol
Topological Polar Surface Area:
72.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
240
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 2-bromo-4-nitrobenzoate is a versatile compound commonly employed in chemical synthesis for its unique reactivity and functional group compatibility. This compound serves as a valuable building block in the production of various pharmaceuticals, agrochemicals, and advanced materials due to its ability to introduce both bromine and nitro functionalities into organic molecules.In chemical synthesis, Methyl 2-bromo-4-nitrobenzoate can act as a key intermediate for the preparation of complex organic compounds through various synthetic routes. Its bromine substituent enables selective halogenation reactions, while the nitro group can participate in diverse transformations such as reduction, substitution, or functional group interconversion. These characteristic properties make Methyl 2-bromo-4-nitrobenzoate a valuable tool for chemists seeking to modify and diversify the structure of organic molecules in a controlled and efficient manner.Moreover, the presence of both electron-withdrawing and electron-donating groups in Methyl 2-bromo-4-nitrobenzoate provides opportunities for regioselective reactions and enables the synthesis of structurally intricate molecules with specific properties. By incorporating this compound into synthetic pathways, chemists can access a wide range of chemical space and tailor molecular structures to achieve desired targets in the fields of drug discovery, materials science, and chemical engineering.