5-Amino-4-hydroxybenzene-1,3-disulphonic acid

Base Information

• Chemical Name: 5-Amino-4-hydroxybenzene-1,3-disulphonic acid
• CAS No.: 120-98-9
• Molecular Formula: C6H7NO7S2
• Molecular Weight: 269.256
• Hs Code.: 2922299090
• European Community (EC) Number: 204-441-1
• DSSTox Substance ID: DTXSID30152647
• Nikkaji Number: J291.291K
• Wikidata: Q72437692
• Mol file: 120-98-9.mol

Synonyms:120-98-9;5-amino-4-hydroxybenzene-1,3-disulfonic acid;5-Amino-4-hydroxybenzene-1,3-disulphonic acid;2-Aminophenol-4,6-disulfonic acid;5-Amino-4-hydroxy-1,3-benzenedisulfonic acid;C6H7NO7S2;1,3-Benzenedisulfonic acid, 5-amino-4-hydroxy-;EINECS 204-441-1;isopropylbromoacetate;SCHEMBL5830318;DTXSID30152647;C6-H7-N-O7-S2;AMY21821;AKOS015889795;AC-22499;AS-67216;5-amino-4-hydroxybenzene-1,3-disulfonicacid;1-hydroxy-2-amino-benzene-4,6-disulfonic acid;D95846;A804632

Chemical Property of 5-Amino-4-hydroxybenzene-1,3-disulphonic acid

Chemical Property:

• Melting Point: 170 °C
• PKA: -1.71±0.50(Predicted)
• PSA: 171.75000
• Density: 1.984 g/cm³
• LogP: 2.21060
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 268.96639391
• Heavy Atom Count: 16
• Complexity: 444

Purity/Quality:

98%, ^*data from raw suppliers

5-Amino-4-hydroxybenzene-1,3-disulfonic acid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1N)O)S(=O)(=O)O)S(=O)(=O)O

Technology Process of 5-Amino-4-hydroxybenzene-1,3-disulphonic acid

There total 3 articles about 5-Amino-4-hydroxybenzene-1,3-disulphonic 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:

4-hydroxy-5-nitro-benzene-1,3-disulfonic acid (88-28-8) → 2-hydroxy-1-aminobenzene-3,5-disulphonic acid (120-98-9)

Guidance literature:

With hydrogenchloride; zinc; at 10 ℃;

Reference yield:

phenol (108-95-2,27073-41-2) → 2-hydroxy-1-aminobenzene-3,5-disulphonic acid (120-98-9)

Guidance literature:

Multi-step reaction with 2 steps

1: SO₃; sulfuric acid / 100 °C / nitriert das Reaktionsprodukt in der Kaelte

2: concentrated NaHSO₃

With sulfuric acid; sulfur trioxide; sodium hydrogensulfite;

Reference yield:

→ 2-hydroxy-1-aminobenzene-3,5-disulphonic acid (120-98-9)

Guidance literature:

upstream raw materials:

4-hydroxy-5-nitro-benzene-1,3-disulfonic acid

phenol

Refernces

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