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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, 5-chloro-2-nitro-, methyl ester

[O-][N+](=O)c1ccc(cc1C(=O)OC)Cl Request for Quotation
Chemical Name: Benzoic acid, 5-chloro-2-nitro-, methyl ester
CAS Number: 51282-49-6
Product Number: AG00357Z(AGN-PC-0JPRP9)
Synonyms:
MDL No:
Molecular Formula: C8H6ClNO4
Molecular Weight: 215.5905

Identification/Properties

Properties
MP:
48-52 °C(lit.);
BP:
306.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.6000 (estimate)
Computed Properties
Molecular Weight:
215.589g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
214.999g/mol
Monoisotopic Mass:
214.999g/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

NMR Spectrum

Other Analytical Data

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Chemical Structure


Methyl 5-chloro-2-nitrobenzoate, also known as MCNB, is a versatile compound that finds wide applications in chemical synthesis. This compound serves as an important building block in the creation of various pharmaceuticals, agrochemicals, and specialty chemicals due to its unique chemical properties. In chemical synthesis, MCNB acts as an essential intermediate in the production of diverse organic compounds.One key application of Methyl 5-chloro-2-nitrobenzoate is in the synthesis of heterocycles, where it serves as a valuable precursor in the construction of nitrogen-containing ring structures. Additionally, MCNB is utilized in the preparation of complex molecules such as chiral compounds and functionalized aromatics. Its ability to undergo various chemical transformations makes it a crucial ingredient in the development of new materials and compounds with specific functionalities.Moreover, Methyl 5-chloro-2-nitrobenzoate plays a vital role in the creation of fine chemicals used in research and industrial processes. Its incorporation in the synthesis of novel organic molecules enables the production of advanced materials with tailored properties for a range of applications. Overall, MCNB's significance in chemical synthesis lies in its contribution to the diversity and innovation of molecular design in the field of organic chemistry.