3-Amino-5-nitrosalicylic acid

Base Information

• Chemical Name: 3-Amino-5-nitrosalicylic acid
• CAS No.: 831-51-6
• Molecular Formula: C7H6 N2 O5
• Molecular Weight: 198.135
• Hs Code.: 2922509090
• European Community (EC) Number: 212-602-2
• UNII: VYP8KK669F
• DSSTox Substance ID: DTXSID20232169
• Nikkaji Number: J79.980G
• Wikidata: Q2823211
• Wikipedia: 3-Amino-5-nitrosalicylic_acid
• Mol file: 831-51-6.mol

Synonyms:3-Amino-5-nitrosalicylic acid;831-51-6;VYP8KK669F;Benzoic acid, 3-amino-2-hydroxy-5-nitro-;3-Amino-2-hydroxy-5-nitrobenzoic acid;EINECS 212-602-2;Benzoic acid,3-amino-2-hydroxy-5-nitro-;UNII-VYP8KK669F;SCHEMBL1877302;DTXSID20232169;JFTUSFFYSRNFBA-UHFFFAOYSA-N;3-Amino-2-hydroxy-5-nitrobenzoic acid #;SALICYLIC ACID, 3-AMINO-5-NITRO-;NS00038240;Q2823211

Chemical Property of 3-Amino-5-nitrosalicylic acid

Chemical Property:

• Vapor Pressure: 2.42E-09mmHg at 25°C
• Melting Point: 234 °C (decomp)
• Boiling Point: 462.3°C at 760 mmHg
• PKA: 1.42±0.10(Predicted)
• Flash Point: 233.4°C
• PSA: 129.37000
• Density: 1.73g/cm³
• LogP: 1.68520
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 198.02767130
• Heavy Atom Count: 14
• Complexity: 251

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1C(=O)O)O)N)[N+](=O)[O-]

Technology Process of 3-Amino-5-nitrosalicylic acid

There total 1 articles about 3-Amino-5-nitrosalicylic 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:

3,5-dinitrosalicylic acid (609-99-4) → 3-amino-5-nitrosalicylic acid (831-51-6)

Guidance literature:

bei partieller Reduktion;

Reference yield: 80.0%

3-amino-5-nitrosalicylic acid (831-51-6) → 3,5‐diaminosalicylic acid (112725-89-0)

Guidance literature:

With sodium tetrahydroborate; C₅₄H₅₀Cl₂N₂O₃Ru₂; In ethanol; at 20 ℃; for 3h;

DOI:10.1016/j.jorganchem.2019.120984

Reference yield:

3-amino-5-nitrosalicylic acid (831-51-6) → 2-hydroxybromobenzene (95-56-7)

Guidance literature:

Multi-step reaction with 4 steps

1: hydrobromic acid / Reaktion ueber mehrere Stufen

2: tin; hydrochloric acid

3: water; sodium nitrite / Behandeln der entstandenen Diazoverbindung mit absol. Alkohol

4: water / 180 °C

With hydrogenchloride; tin; water; hydrogen bromide; sodium nitrite;

upstream raw materials:

3,5-dinitrosalicylic acid

Downstream raw materials:

3-acetylamino-2-hydroxy-5-nitro-benzoic acid

2-hydroxybromobenzene

3-bromosalicylic acid

5-amino-3-bromosalicylic acid

Refernces

• 1、 Yang, Jie,Fu, Xun,Jia, Qiang,Shen, Jie,Biggins, John B.,Jiang, Jiqing,Zhao, Jingjing,Schmidt, Joshua J.,Wang, Peng G.,Thorson, Jon S.. "Studies on the substrate specificity of Escherichia coli galactokinase". . p. 2223 - 2226. Retrieved 2007/10/03.