Cas no 1261977-06-3 (2-(3-methylphenyl)-4-nitrobenzoic Acid)

2-(3-Methylphenyl)-4-nitrobenzoic acid is a nitro-substituted benzoic acid derivative with a 3-methylphenyl substituent at the 2-position. This compound is of interest in organic synthesis and pharmaceutical research due to its functional groups, which allow for further chemical modifications. The presence of both a carboxylic acid and a nitro group provides versatility in reactions such as esterification, reduction, or nucleophilic substitution. Its aromatic structure and electron-withdrawing nitro group may also contribute to its utility in the development of intermediates for dyes, agrochemicals, or active pharmaceutical ingredients (APIs). The compound is typically handled under standard laboratory conditions, requiring appropriate safety measures due to its potential reactivity.

2-(3-methylphenyl)-4-nitrobenzoic Acid structure

1261977-06-3 structure

Product Name:2-(3-methylphenyl)-4-nitrobenzoic Acid

CAS No:1261977-06-3

MF:C₁₄H₁₁NO₄

MW:257.241443872452

MDL:MFCD18318948

CID:1223320

PubChem ID:53224883

Update Time:2025-05-28

2-(3-methylphenyl)-4-nitrobenzoic Acid Chemical and Physical Properties

Names and Identifiers

- 2-(3-methylphenyl)-4-nitrobenzoic Acid
- MFCD18318948
- 1261977-06-3
- DTXSID50688615
- 3'-Methyl-5-nitro[1,1'-biphenyl]-2-carboxylic acid
- SCHEMBL5696845
- 2-(3-Methylphenyl)-4-nitrobenzoic acid, 95%
- MDL： MFCD18318948
- Inchi： 1S/C14H11NO4/c1-9-3-2-4-10(7-9)13-8-11(15(18)19)5-6-12(13)14(16)17/h2-8H,1H3,(H,16,17)
- InChI Key： DYFWALVSTCPZJI-UHFFFAOYSA-N
- SMILES： OC(C1C=CC(=CC=1C1C=CC=C(C)C=1)[N+](=O)[O-])=O

Computed Properties

Exact Mass: 257.06880783g/mol
Monoisotopic Mass: 257.06880783g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 19
Rotatable Bond Count: 2
Complexity: 352
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 3.3
Topological Polar Surface Area: 83.1?2

2-(3-methylphenyl)-4-nitrobenzoic Acid Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time	Inquiry
abcr	AB325860-5 g	2-(3-Methylphenyl)-4-nitrobenzoic acid, 95%; .	1261977-06-3	95%	5g	€1159.00	2023-04-26
abcr	AB325860-5g	2-(3-Methylphenyl)-4-nitrobenzoic acid, 95%; .	1261977-06-3	95%	5g	€1159.00	2025-04-21