CAS 59587-02-9

2-Chloro-4-[[(methylamino)carbonyl]amino]benzoic acid

Description:

2-Chloro-4-[[(methylamino)carbonyl]amino]benzoic acid, with the CAS number 59587-02-9, is an organic compound that belongs to the class of amino benzoic acids. It features a benzoic acid core substituted with a chlorine atom at the 2-position and a methylamino carbonyl group at the 4-position. This compound is characterized by its ability to form hydrogen bonds due to the presence of both carboxylic acid and amine functional groups, which can influence its solubility and reactivity. It typically appears as a solid at room temperature and may exhibit moderate solubility in polar solvents like water and alcohols. The presence of the chlorine atom can impart unique electronic properties, potentially affecting its biological activity and interaction with other molecules. This compound may be of interest in pharmaceutical research and development due to its structural features, which could contribute to various biological activities. As with many chemical substances, proper handling and safety measures should be observed due to potential toxicity or reactivity.

Formula: C₉H₉ClN₂O₃

InChI: InChI=1S/C9H9ClN2O3/c1-11-9(15)12-5-2-3-6(8(13)14)7(10)4-5/h2-4H,1H3,(H,13,14)(H2,11,12,15)

InChI key: InChIKey=LJAJRCUYEXXYQA-UHFFFAOYSA-N

SMILES: N(C(NC)=O)C1=CC(Cl)=C(C(O)=O)C=C1

Synonyms:

• 2-Chloro-4-(3-methylureido)benzoic acid
• Benzoic acid, 2-chloro-4-[[(methylamino)carbonyl]amino]-
• N-(3-Chloro-4-carboxyphenyl)-N′-methylurea
• CGA 15139
• 2-Chloro-4-[[(methylamino)carbonyl]amino]benzoic acid

2-Chloro-4-[(methylcarbamoyl)amino]benzoic acid

CAS: 59587-02-9

Versatile small molecule scaffold

Formula: C₉H₉ClN₂O₃

Purity: Min. 95%

Molecular weight: 228.63 g/mol

Ref: 3D-JCA58702