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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, 4-(methylsulfonyl)-2-nitro-

[O-][N+](=O)c1cc(ccc1C(=O)O)S(=O)(=O)C Request for Quotation
Chemical Name: Benzoic acid, 4-(methylsulfonyl)-2-nitro-
CAS Number: 110964-79-9
Product Number: AG0033ES(AGN-PC-0JNHWD)
Synonyms:
MDL No: MFCD01941299
Molecular Formula: C8H7NO6S
Molecular Weight: 245.2093

Identification/Properties

Properties
MP:
211-212 C
BP:
497.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
245.205g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
244.999g/mol
Monoisotopic Mass:
244.999g/mol
Topological Polar Surface Area:
126A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
392
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#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-(Methylsulfonyl)-2-nitrobenzoic acid is a versatile compound widely utilized in chemical synthesis for its unique properties and reactivity. In organic chemistry, this compound serves as a key building block in the synthesis of various advanced materials and pharmaceutical intermediates. Due to its functional groups, it can participate in numerous reactions, such as nucleophilic substitution, carbonyl condensation, and metal-catalyzed transformations.One of the common applications of 4-(Methylsulfonyl)-2-nitrobenzoic acid is in the synthesis of pharmaceutical compounds, particularly in the development of anti-inflammatory drugs and antimicrobial agents. Its sulfone and nitro functionalities can be selectively modified to introduce specific pharmacophores or enhance biological activity, making it a valuable precursor in drug discovery research.Furthermore, this compound is also employed in the preparation of specialty chemicals, agrochemicals, and materials science. Its structural features offer opportunities for modifying physical and chemical properties, allowing for the design and creation of novel molecules with tailored characteristics for various industrial applications.Overall, the use of 4-(Methylsulfonyl)-2-nitrobenzoic acid in chemical synthesis showcases its importance as a versatile building block with extensive applications across different fields of chemistry and materials science.