3-[(Methylamino)carbonyl]-5-nitrobenzoic acid

Base Information

• Chemical Name: 3-[(Methylamino)carbonyl]-5-nitrobenzoic acid
• CAS No.: 1954-97-8
• Molecular Formula: C9H8N2O5
• Molecular Weight: 224.173
• Hs Code.: 2924299090
• European Community (EC) Number: 217-788-9
• UNII: VM83HK2U5U
• DSSTox Substance ID: DTXSID30941311
• Nikkaji Number: J199.775K
• Wikidata: Q82918103
• Mol file: 1954-97-8.mol

Synonyms:1954-97-8;3-(methylcarbamoyl)-5-nitrobenzoic acid;3-[(Methylamino)carbonyl]-5-nitrobenzoic acid;3-CARBOXY-5-NITRO-N-METHYLBENZAMIDE;3-((Methylamino)carbonyl)-5-nitrobenzoic acid;EINECS 217-788-9;5-NITRO-ISOPHTHALIC ACID MONOMETHYL AMIDE;Benzoic acid, 3-((methylamino)carbonyl)-5-nitro-;Benzoic acid, 3-[(methylamino)carbonyl]-5-nitro-;VM83HK2U5U;SCHEMBL15329823;DTXSID30941311;3-Methylaminocarbonyl-5-nitrobenzoic acid;FT-0633935;A813814;3-[Hydroxy(methylimino)methyl]-5-nitrobenzoic acid;W-109731

Chemical Property of 3-[(Methylamino)carbonyl]-5-nitrobenzoic acid

Chemical Property:

• Vapor Pressure: 2.79E-08mmHg at 25°C
• Refractive Index: 1.608
• Boiling Point: 433.4 °C at 760 mmHg
• Flash Point: 215.9 °C
• PSA: 112.22000
• Density: 1.454 g/cm³
• LogP: 1.56670
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 224.04332136
• Heavy Atom Count: 16
• Complexity: 312

Purity/Quality:

99.9% ^*data from raw suppliers

N-Methyl-5-nitro-isophthalamicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
• Uses: N-Methyl-5-nitro-isophthalamic Acid, a derivative of isophthalamic acid, may have potential utility as a contrast agent for x-ray.

Technology Process of 3-[(Methylamino)carbonyl]-5-nitrobenzoic acid

There total 1 articles about 3-[(Methylamino)carbonyl]-5-nitrobenzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 3-[(methylamino)carbonyl]-5-nitrobenzoic acid (1954-97-8)

Guidance literature:

entspr. Dicarbonsaeure, CO(NHMe)2;