Benzenesulfonic acid, 2-[(4-aminophenyl)amino]-5-nitro-

Base Information

• Chemical Name: Benzenesulfonic acid, 2-[(4-aminophenyl)amino]-5-nitro-
• CAS No.: 91-29-2
• Molecular Formula: C12H11N3O5S
• Molecular Weight: 309.302
• Hs Code.: 2921590090
• European Community (EC) Number: 202-057-9,307-605-1,305-888-6
• NSC Number: 5534
• UNII: F9C9UR6E7L
• DSSTox Substance ID: DTXSID1059020
• Nikkaji Number: J29.901D
• Wikidata: Q72437796
• Mol file: 91-29-2.mol

Synonyms:91-29-2;2-(4-Aminoanilino)-5-nitrobenzenesulphonic acid;Benzenesulfonic acid, 2-[(4-aminophenyl)amino]-5-nitro-;Aniline Nitro Nerol Acid;2-(4-aminoanilino)-5-nitrobenzenesulfonic acid;2-((4-Aminophenyl)amino)-5-nitrobenzenesulfonic acid;2-(p-Aminoanilino)-5-nitrobenzenesulfonic acid;F9C9UR6E7L;NSC 5534;NSC-5534;Benzenesulfonic acid, 2-(p-aminoanilino)-5-nitro-;EINECS 202-057-9;Benzenesulfonic acid, 2-((4-aminophenyl)amino)-5-nitro-;2-[(4-AMINOPHENYL)AMINO]-5-NITROBENZENESULFONIC ACID;Benzenesulfonic acid, 2-((4-aminophenyl)amino)-5-nitro-, diazotized, coupled with 5,5'-oxybis(1,3-benzenediol), sodium salt;Benzenesulfonic acid, 2-[(4-aminophenyl)amino]-5-nitro-, diazotized, coupled with 5,5'-oxybis[1,3-benzenediol], sodium salt;UNII-F9C9UR6E7L;Cambridge id 5209247;CBDivE_016101;2-((4-Aminophenyl)amino)-5-nitrobenzenesulfonicacid;SCHEMBL2032113;DTXSID1059020;NSC5534;EINECS 305-888-6;EINECS 307-605-1;AKOS015960705;95193-74-1;97675-34-8;AC-12054;2-(4-aminoanilino)-5-nitrobenzensulfonsyre;FT-0617515;2-(p-Aminoanilino)-5-nitrobenzenesulphonic acid;4'-Amino-4-nitro-diphenylamine-2-sulfonic acid;SR-01000198500;2-(4-aminophenylamino)-5-nitrobenzenesulfonic acid;Benzenesulphonic acid, 2-(p-aminoanilino)-5-nitro-;SR-01000198500-1;W-100312;2-[(4-Aminophenyl)amino]-5-nitrobenzenesulphonic acid;Benzenesulphonic acid, 2-((4-aminophenyl)amino)-5-nitro-

Chemical Property of Benzenesulfonic acid, 2-[(4-aminophenyl)amino]-5-nitro-

Chemical Property:

• Vapor Pressure: 0Pa at 25℃
• Melting Point: 140-142
• Refractive Index: 1.709
• Boiling Point: 638.98℃[at 101 325 Pa]
• PKA: -1.27±0.48(Predicted)
• PSA: 146.62000
• Density: 1.607 g/cm³
• LogP: 4.42550
• Storage Temp.: 2-8°C
• Water Solubility.: 7.8g/L at 20℃
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 309.04194163
• Heavy Atom Count: 21
• Complexity: 464

Purity/Quality:

99% ^*data from raw suppliers

2-((4-Aminophenyl)amino)-5-nitrobenzenesulfonic acid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O
• Uses: 2-(4-Aminoaniline)-5-nitrobenzenesulphonicacid (CAS# 91-29-2) is a dye used in oxidative condensation of, with [(ethylphenylamino)methyl]benzenesulfonic acid.

Technology Process of Benzenesulfonic acid, 2-[(4-aminophenyl)amino]-5-nitro-

There total 1 articles about Benzenesulfonic acid, 2-[(4-aminophenyl)amino]-5-nitro- 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:

1,4-phenylenediamine (106-50-3) → 4-amino-4'-nitrodiphenylamine-2'-sulfonic acid (91-29-2)

Guidance literature:

With water; calcium carbonate;

Reference yield:

sulfuric acid (7664-93-9) + 4-amino-4'-nitrodiphenylamine-2'-sulfonic acid (91-29-2) → N-(4-nitrophenyl)-1,4-phenylenediamine (6149-34-4) + 4-nitro-aniline (100-01-6,104810-17-5)

Guidance literature:

Reference yield:

4,4'-diamino-2,2'-biphenyldisulfonic acid (117-61-3) + 4-amino-4'-nitrodiphenylamine-2'-sulfonic acid (91-29-2) → C36H28N10O16S4

Guidance literature:

4-amino-4'-nitrodiphenylamine-2'-sulfonic acid; With lithium hydroxide; In water; at 60 - 70 ℃; pH=> 11;

With hydrogenchloride; sodium nitrite; In water; at 35 - 40 ℃; for 2.16667h;

4,4'-diamino-2,2'-biphenyldisulfonic acid; With sodium carbonate; In water; at 20 - 50 ℃; for 2.33333h; pH=6.5 - 8.5;

upstream raw materials:

1,4-phenylenediamine

Downstream raw materials:

3-[ethyl-(3-sulfo-benzyl)-amino]-7-[(4-amino-2-sulfo-phenyl)-amino]-5-(4-sulfo-phenyl)-phenazinium betaine

N-(4-nitrophenyl)-1,4-phenylenediamine

4-nitro-aniline