2-Acetamido-5-nitrobenzoic acid

Base Information

• Chemical Name: 2-Acetamido-5-nitrobenzoic acid
• CAS No.: 3558-18-7
• Molecular Formula: C9H8N2O5
• Molecular Weight: 224.173
• Hs Code.: 2924299090
• European Community (EC) Number: 630-008-5
• NSC Number: 125367
• DSSTox Substance ID: DTXSID60298683
• Nikkaji Number: J26.929H
• Wikidata: Q82040653
• Mol file: 3558-18-7.mol

Synonyms:2-acetamido-5-nitrobenzoic acid;3558-18-7;2-(Acetylamino)-5-nitrobenzoic acid;NSC125367;Maybridge1_000127;MixCom1_000237;Oprea1_820865;2-acetamido-5-nitrobenzoicacid;SCHEMBL3279807;DTXSID60298683;2-Acetylamino-5-nitrobenzoic acid;MFCD00204175;AKOS002434796;NSC 125367;NSC-125367;CS-0332632;FT-0608718;E87901;EN300-998361;2-(acetylamino)-5-nitrobenzoic acid, AldrichCPR;A822886;3-(ACETYLAMINO)-3-(4-NITROPHENYL)PROPANOICACID;F1967-0947

Chemical Property of 2-Acetamido-5-nitrobenzoic acid

Chemical Property:

• Vapor Pressure: 6.9E-11mmHg at 25°C
• Melting Point: 215 °C
• Refractive Index: 1.656
• Boiling Point: 501.7 °C at 760 mmHg
• Flash Point: 257.2 °C
• PSA: 112.22000
• Density: 1.526 g/cm³
• LogP: 1.84760
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• 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% ^*data from raw suppliers

2-(Acetylamino)-5-nitrobenzoic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O

Technology Process of 2-Acetamido-5-nitrobenzoic acid

There total 13 articles about 2-Acetamido-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:

o-acetylamino-benzoic acid (89-52-1) → 5-nitro-N-acetylanthranilic acid (3558-18-7)

Guidance literature:

With sulfuric acid; nitric acid; at 40 ℃;

Reference yield:

2-methyl-4-nitroacetanilide (2719-15-5) → 5-nitro-N-acetylanthranilic acid (3558-18-7)

Guidance literature:

With potassium permanganate; magnesium sulfate;

Reference yield:

2-methyl-4-nitro-benzenamine (99-52-5) → 5-nitro-N-acetylanthranilic acid (3558-18-7)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene

2: potassium permanganate; magnesium sulfate; water

With potassium permanganate; water; magnesium sulfate; benzene;

upstream raw materials:

2-methyl-4-nitroacetanilide

acetic anhydride

2-amino-5-nitro-benzoic acid

o-acetylamino-benzoic acid

Downstream raw materials:

C₁₇H₁₁ClN₄O₂

2-mercapto-3-(2',4'-dichlorostilbenyl)-6-nitro-4-oxoquinazoline

Refernces

• 1、 Patel, Vijay H.,Patel, Manish P.,Patel, Ranjan G.. "Synthesis and application of novel heterocyclic dyes based on 11-Amino-3-Bromo-13H-acenaphtho[1,2-e]pyridazino[3,2-b]-quinazoline-13-one". . p. 599 - 606. Retrieved 2007/10/03.