Physical Properties:
Appearance: Yellow solid or powder.
Melting Point: >3000C
Density: Approximately 1.472 g/cm3
Boiling Point: 393.7 at 760 mmHg (predicted)
Solubility: Soluble in DMSO, methanol, ethanol, and water.
pKa: 4.28
Refractive Index: 1.662
Storage and Handling
Storage: Store at room temperature (ideally 15 or 2-80C) in a cool, dark place, often under an inert atmosphere.
Hazard Identification: Causes serious eye irritation (GHS classification).
Key Synonyms and Identifiers:
Systematic/Chemical Names:
4-(Methylamino)-3-nitrobenzoic acid
Benzoic acid, 4-(methylamino)-3-nitro-
4-(Methylamino)-3-nitrobenzoate
Other Identifiers:
NSC Number: NSC 138300
MDL Number: MFCD00464322
PubChem CID: 283475
EPA DSSTox: DTXSID20300675
The compound acts as a crucial building block in pharmaceutical research, particularly for developing antihypertensive drugs and anticoagulants.
4-(Methylamino)-3-nitrobenzoic acid (CAS 41263-74-5), Is a yellow crystalline solid primarily used as a versatile intermediate in organic synthesis, particularly for manufacturing pharmaceuticals, dyes, and specialized chemical compounds. It is a key raw material for producing anticoagulants, such as dabigatran etexilate intermediates, and is used in cosmetic and fragrance development.
Key Applications:
Pharmaceutical Synthesis: Acts as a crucial intermediate for APIs (Active Pharmaceutical Ingredients), with a major application in the synthesis of the anticoagulant drug dabigatran.
Chemical Intermediate: Used as a building block for creating complex organic molecules due to its unique combination of a carboxylic acid, nitro, and methylamino functional groups.
Dye and Chemical Industry: Employed in the manufacturing of specialty dyes and chemical formulations.
Cosmetics and Fragrance: Used in combination with other chemicals (e.g., palmitoyl bromide) for creating specific compounds in the cosmetic and flavoring industries.
This compound is generally supplied for research and development or industrial manufacturing purposes.
