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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-methyl-5-nitro-

Cc1cc(cc(c1)C(=O)O)[N+](=O)[O-] Request for Quotation
Chemical Name: Benzoic acid, 3-methyl-5-nitro-
CAS Number: 113882-33-0
Product Number: AG000A00(AGN-PC-03LDEI)
Synonyms:
MDL No:
Molecular Formula: C8H7NO4
Molecular Weight: 181.1455

Identification/Properties

Properties
MP:
174℃
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
181.147g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
181.038g/mol
Monoisotopic Mass:
181.038g/mol
Topological Polar Surface Area:
83.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
223
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


3-Methyl-5-nitrobenzoic acid is a versatile compound commonly used in chemical synthesis. This compound serves as a key building block in organic chemistry reactions, particularly in the production of various pharmaceuticals, dyes, and agrochemicals. Its unique structure and reactivity make it an essential component in the creation of complex molecules and materials. In chemical synthesis, 3-Methyl-5-nitrobenzoic acid can be utilized as a precursor for the synthesis of new drug candidates, organic pigments, and specialty chemicals. Its presence enables chemists to introduce specific functional groups or modify existing ones, leading to the creation of novel compounds with desired properties and applications. This compound's importance in organic synthesis highlights its crucial role in advancing scientific research and product development across various industries.