3-Amino-2-hydroxy-5-nitrobenzenesulfonic acid

Base Information

• Chemical Name: 3-Amino-2-hydroxy-5-nitrobenzenesulfonic acid
• CAS No.: 96-67-3
• Deprecated CAS: 861511-93-5
• Molecular Formula: C6H6N2O6S
• Molecular Weight: 234.189
• Hs Code.: 2922299090
• European Community (EC) Number: 202-523-1,308-659-9
• NSC Number: 7541
• UN Number: 2585
• UNII: 3K0N8U029N
• DSSTox Substance ID: DTXSID3024495
• Nikkaji Number: J53.686E
• Wikidata: Q27894131
• Mol file: 96-67-3.mol

Synonyms:96-67-3;3-Amino-2-hydroxy-5-nitrobenzenesulfonic acid;2-amino-4-nitrophenol-6-sulfonic acid;2-Hydroxy-5-nitrometanilic acid;6-AMINO-4-NITRO-1-PHENOL-2-SULFONIC ACID;Benzenesulfonic acid, 3-amino-2-hydroxy-5-nitro-;4-Nitro-2-aminophenol-6-sulfonic acid;3-Amino-2-hydroxy-5-nitro-benzenesulfonic acid;Metanilic acid, 2-hydroxy-5-nitro-;CCRIS 4583;NSC 7541;EINECS 202-523-1;3-Amino-2-hydroxy-5-nitrobenzenesulphonic acid;BRN 3369869;Kyselina 4-nitro-2-aminofenol-6-sulfonova;3K0N8U029N;NSC-7541;Kyselina 2-amino-4-nitrofenol-6-sulfonova [Czech];Kyselina 4-nitro-2-aminofenol-6-sulfonova [Czech];Kyselina 2-amino-4-nitrofenol-6-sulfonova;EC 202-523-1;2-14-00-00486 (Beilstein Handbook Reference);98171-51-8;3-amino-2-hydroxy-5-nitrobenzenesulfonate;NSC7541;MFCD00035758;WLN: WSQR CZ BQ ENW;SCHEMBL177959;UNII-3K0N8U029N;DTXSID3024495;DQIVFTJHYKDOMZ-UHFFFAOYSA-N;AMY40840;4-Nitro-2-aminophenol-6-sulfosaure;EINECS 308-659-9;BBL019347;STL183155;AKOS001572587;LS-2013;2-AMINO-4-NITRO-6-SULFOPHENOL;2-HYDROXY-5-NITRO-3-SULFOANILINE;AS-11972;3-amino-2-hydroxy-5-nitrobenzensulfonsyre;3-Amino-2-hydroxy-5-nitrobenzenesulfonicacid;CS-0313769;FT-0619189;2-hydroxy-3-amino-5-nitrobenzenesulfonic acid;2-AMINOPHENOL-4-NITRO-6-SULFONIC ACID;6-AMINO-4-NITROPHENOL-2-SULFONIC ACID;D95436;3-amino-2-hydroxy-5-nitro-1-benzenesulfonic acid;4-nitro-2-amino-1-hydroxybenzene-6-sulfonic acid;A845624;W-100137;1-PHENOL-2-SULFONIC ACID, 6-AMINO-4-NITRO-;Q27894131;1-AMINO-2-HYDROXY-5-NITRO-3-BENZENESULFONIC ACID;1-HYDROXY-2-AMINO-4-NITROBENZENE-6-SULFONIC ACID;3-amino-2-hydroxy-5-nitro-benzenesulfonic acid;Benzenesulfonic acid, 3-amino-2-hydroxy-5-nitro-, diazotized, coupled with Et (7-hydroxy-1-naphthalenyl)carbamate;Benzenesulfonic acid,3-amino-2-hydroxy-5-nitro-,diazotized,coupled with et(7-hydroxy-1-naphthalenyl)carbamate

Chemical Property of 3-Amino-2-hydroxy-5-nitrobenzenesulfonic acid

Chemical Property:

• Appearance/Colour: brown powder
• Vapor Pressure: 0Pa at 25℃
• Melting Point: 285°C
• Refractive Index: 1.701
• Boiling Point: 453.78℃
• PKA: -1.79±0.50(Predicted)
• PSA: 154.82000
• Density: 1.877 g/cm³
• LogP: 2.31450
• Storage Temp.: 2-8°C
• Water Solubility.: 0.1-0.5 g/100 mL at 21.5 ºC
• XLogP3: 0
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 233.99465709
• Heavy Atom Count: 15
• Complexity: 344
• Transport DOT Label: Corrosive

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-4-nitrophenol-6-sulfonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1N)O)S(=O)(=O)O)[N+](=O)[O-]

Technology Process of 3-Amino-2-hydroxy-5-nitrobenzenesulfonic acid

There total 6 articles about 3-Amino-2-hydroxy-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:

3-amino-2-hydroxy-benzenesulfonic acid (80-79-5) → 2-hydroxy-3-amino-5-nitrobenzenesulfonic acid (96-67-3)

Guidance literature:

With sulfuric acid; nitric acid; at -5 ℃;

Reference yield:

→ 2-hydroxy-3-amino-5-nitrobenzenesulfonic acid (96-67-3)

Guidance literature:

With sulfuralkali; man scheidet die freie Saeure mit verd. Mineralsaeure ab;

Reference yield:

2-hydroxy-3-nitro-benzenesulfonic acid (861338-29-6) → 2-hydroxy-3-amino-5-nitrobenzenesulfonic acid (96-67-3)

Guidance literature:

Multi-step reaction with 2 steps

1: tin; hydrochloric acid

2: HNO₃+H₂SO₄ / -5 °C

With hydrogenchloride; tin; sulfuric acid; nitric acid;

upstream raw materials:

3-amino-2-hydroxy-benzenesulfonic acid

2-hydroxy-3-nitro-benzenesulfonic acid

5-amino-2-hydroxy-3-nitro-benzenesulfonic acid

Downstream raw materials:

3,5-diamino-2-hydroxy-benzenesulfonic acid

2-amino-5-nitro-benzenesulfonic acid

3-(2-(4,4-dimethyl-2,6-dioxocyclohexylidene)hydrazinyl)-2-hydroxy-5-nitrobenzenesulfonic acid

2-hydroxy-5-nitro-3-(2-(2,4,6-trioxotetrahydro-pyrimidin-5(2H)-ylidene)hydrazinyl)benzene sulfonic acid

Refernces

• 1、 -. "Triazinyl reactive dyes containing additional fiber reactive groups bound through the sulfonylalkylaminoalkylamino bridge". . . Retrieved 2008/06/13.
• 2、 -. "Water-soluble fiber-reactive disazo dyestuffs". . . Retrieved 2008/06/13.