2-Amino-5-nitrobenzenesulfonic acid

Base Information

• Chemical Name: 2-Amino-5-nitrobenzenesulfonic acid
• CAS No.: 96-75-3
• Molecular Formula: C6H6N2O5S
• Molecular Weight: 218.19
• Hs Code.: 2921420090
• European Community (EC) Number: 202-531-5,290-699-0
• NSC Number: 7540
• UNII: S1VW6T6H7D
• DSSTox Substance ID: DTXSID3059139
• Nikkaji Number: J54.502C
• Wikidata: Q27135523
• Metabolomics Workbench ID: 64857
• Mol file: 96-75-3.mol

Synonyms:2-Amino-5-nitrobenzenesulfonic acid;96-75-3;4-Nitro-2-sulfoaniline;4-Nitroaniline-2-sulfonic acid;Benzenesulfonic acid, 2-amino-5-nitro-;p-Nitroaniline-o-sulfonic acid;p-Nitroaniline-2-sulfonic acid;2-Amino-5-nitrobenzenesulphonic acid;2-amino-5-nitro-benzenesulfonic acid;P-Nitroaniline-2-Sulphonic acid;NSC 7540;EINECS 202-531-5;BRN 2654142;S1VW6T6H7D;p-nitroanilin-o-sulphonic acid;AI3-50019;p-nitroaniline-o-sulphonic acid;NSC-7540;3-14-00-01902 (Beilstein Handbook Reference);NSC7540;WLN: WSQR BZ ENW;UNII-S1VW6T6H7D;SCHEMBL67062;2-amino-5-nitrobenzensulfonsyre;4-nitroaniline-2-sulphonic acid;DTXSID3059139;SCHEMBL11911276;CHEBI:66925;2-Amino-5-nitrobenzenesulfonicacid;EINECS 290-699-0;MFCD00035755;AKOS015833507;90218-26-1;AS-50040;LS-31754;FT-0600311;O10654;A845632;W-109363;Q27135523

Chemical Property of 2-Amino-5-nitrobenzenesulfonic acid

Chemical Property:

• Melting Point: 196 °C(Solv: water (7732-18-5))
• Refractive Index: 1.662
• PKA: -1.01±0.36(Predicted)
• PSA: 134.59000
• Density: 1.727 g/cm³
• LogP: 2.60890
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 217.99974247
• Heavy Atom Count: 14
• Complexity: 316

Purity/Quality:

99.9% ^*data from raw suppliers

4-Nitroaniline-2-sulfonicacid 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Amino-5-nitrobenzenesulfonic acid

There total 9 articles about 2-Amino-5-nitrobenzenesulfonic 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: 90.0%

6-nitrobenzo[d]thiazole (2942-06-5) → 2-amino-5-nitro-benzenesulfonic acid (96-75-3)

Guidance literature:

With [RuCl(P(C₆H₅)3)2(O(C₆H₄)NCH(C₄H₃N))]; bromamine B; sodium hydroxide; In water; acetonitrile; at 39.84 ℃; for 5.75h;

DOI:10.1016/j.molcata.2010.06.006

Reference yield: 82.0%

p-nitroanilinium hydrogen sulfate (23323-52-6) → 2-amino-5-nitro-benzenesulfonic acid (96-75-3)

Guidance literature:

for 0.05h; microwave irradiation;

Reference yield:

active charcoal + 2-methyl-6-nitrobenzothiazole (2941-63-1) → 2-amino-5-nitro-benzenesulfonic acid (96-75-3)

Guidance literature:

With dihydrogen peroxide; In sodium hydroxide;

upstream raw materials:

2-chloro-5-nitro-benzenesulfonic acid

4-nitro-aniline

sulfuric acid

iodine

Downstream raw materials:

C₁₉H₁₃Cl₂N₇O₁₀S₃

C₁₆H₁₂N₄O₁₂S₃

1-{(3-chloro-4-fluoro-benzyl)-[2-(7-methanesulfonylmethyl-1,1-dioxo-1,4-dihydro-1λ6-benzo[1,2,4]thiadiazin-3-yl)-acetyl]-amino}-1H-pyrrole-2-carboxylic acid allyl ester

Refernces

• 1、 Jagadeesh,Karthikeyan,Nithya,Sandhya, Y. Sree,Reddy, S. Sudhaker,Reddy, P. Pradeep Kumar,Kumar, M. Vinod,Charan, K.T. Prabhu,Narender,Bhagat. "Development of an efficient ruthenium catalyzed synthetic process and mechanism for the facile conversion of benzothiazoles to orthanilic acids". experimental part. p. 99 - 107. Retrieved 2010/12/18.
• 2、 -. "Triazinyl reactive dyes containing additional fiber reactive groups bound through the sulfonylalkylaminoalkylamino bridge". . . Retrieved 2008/06/13.