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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-hydroxy-4-methyl-2-nitro-

[O-][N+](=O)c1c(ccc(c1O)C)C(=O)O Request for Quotation
Chemical Name: Benzoic acid, 3-hydroxy-4-methyl-2-nitro-
CAS Number: 6946-15-2
Product Number: AG003JJU(AGN-PC-0JLT7E)
Synonyms:
MDL No:
Molecular Formula: C8H7NO5
Molecular Weight: 197.1449

Identification/Properties

Properties
MP:
185-187°C
BP:
379.7 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
197.146g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
197.032g/mol
Monoisotopic Mass:
197.032g/mol
Topological Polar Surface Area:
103A^2
Heavy Atom Count:
14
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


3-Hydroxy-4-methyl-2-nitrobenzoic acid, also known as HMNBA, is a versatile compound that finds significant application in chemical synthesis. This compound serves as a key building block in the production of various pharmaceuticals, agrochemicals, and specialty chemicals. Its unique molecular structure allows for diverse functionalization and modification, making it a valuable intermediate in the synthesis of complex organic molecules.In chemical synthesis, 3-Hydroxy-4-methyl-2-nitrobenzoic acid is commonly used as a starting material for the preparation of nitro-substituted aromatic compounds. Its presence in the synthesis pathway allows for the introduction of the hydroxy and methyl groups at specific positions in the final product. Furthermore, the nitro group on the benzene ring can be selectively reduced or transformed into other functional groups, providing flexibility in designing the desired molecule.Moreover, HMNBA serves as a precursor for various biologically active compounds due to its ability to undergo further transformations such as reduction, oxidation, or coupling reactions. These derivatization steps enable the incorporation of HMNBA into drug candidates, herbicides, or other fine chemicals where the hydroxy, methyl, and nitro functionalities play a crucial role in the target molecule's activity.Overall, the strategic use of 3-Hydroxy-4-methyl-2-nitrobenzoic acid in chemical synthesis facilitates the construction of complex molecules with tailored properties and functionalities, making it a valuable tool for organic chemists and researchers in diverse fields.