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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-methoxy-5-nitro-, methyl ester

COc1cc(cc(c1)[N+](=O)[O-])C(=O)OC Request for Quotation
Chemical Name: Benzoic acid, 3-methoxy-5-nitro-, methyl ester
CAS Number: 78238-13-8
Product Number: AG0054B2(AGN-PC-0JXFVC)
Synonyms:
MDL No:
Molecular Formula: C9H9NO5
Molecular Weight: 211.1715

Identification/Properties

Properties
MP:
88-90℃
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
211.173g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
211.048g/mol
Monoisotopic Mass:
211.048g/mol
Topological Polar Surface Area:
81.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
249
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
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 3-methoxy-5-nitrobenzoate is a versatile compound frequently utilized in chemical synthesis for its distinct properties and reactivity. This compound serves as a key building block in organic chemistry, particularly in the pharmaceutical industry, where it is employed in the synthesis of various drug molecules. Its unique structure enables it to participate in a range of transformations, such as nucleophilic substitution reactions, enabling the introduction of the methoxy and nitro groups into more complex molecular structures. Moreover, Methyl 3-methoxy-5-nitrobenzoate can also act as a useful precursor to a diverse array of functionalized benzoate derivatives, expanding its utility in the synthesis of novel compounds with potentially valuable biological activities. Its applications extend beyond pharmaceuticals, finding use in materials science and agrochemical synthesis due to its structural versatility and role as a synthetic intermediate for organic molecules of interest. The strategic incorporation of Methyl 3-methoxy-5-nitrobenzoate in chemical synthesis processes highlights its significance as a fundamental building block with broad applications across various industries.