3-Acetamido-5-amino-4-hydroxybenzenesulfonic acid

Base Information

• Chemical Name: 3-Acetamido-5-amino-4-hydroxybenzenesulfonic acid
• CAS No.: 40306-75-0
• Molecular Formula: C8H10N2O5S
• Molecular Weight: 246.244
• European Community (EC) Number: 254-879-2
• NSC Number: 229313
• UNII: XV96F4V45U
• DSSTox Substance ID: DTXSID90885424
• Nikkaji Number: J43.068D
• Wikidata: Q72434499
• Mol file: 40306-75-0.mol

Synonyms:40306-75-0;3-Acetamido-5-amino-4-hydroxybenzenesulfonic acid;3-(Acetylamino)-5-amino-4-hydroxybenzenesulfonic acid;Benzenesulfonic acid, 3-(acetylamino)-5-amino-4-hydroxy-;3-Acetamido-5-amino-4-hydroxybenzenesulphonic acid;XV96F4V45U;EINECS 254-879-2;NSC 229313;NSC-229313;EC 254-879-2;6-Acetamido-2-aminophenol-4-sulfonic acid;NSC229313;ACLAP;6-Amino-2-acetaminophenol-4-sulfonic acid;3-Acetamido-5-amino-4-hydroxybenzenesulfonicacid;UNII-XV96F4V45U;SCHEMBL343266;DTXSID90885424;3-PYRIMIDIN-5-YL-BENZOICACID;AKOS015889812;AC-13322;FT-0639635;6-Acetyl Amine 2-Amino Phenol 4 Sulfonic Acid;A825930;3-Acetylamino-5-amino-4-hydroxybenzenesulfonic acid;W-110929;3-acetamido-5-azanyl-4-oxidanyl-benzenesulfonic acid;3-(Acetylamino)-5-amino-4-hydroxybenzenesulphonic acid;Benzenesulphonic acid, 3-(acetylamino)-5-amino-4-hydroxy-

Chemical Property of 3-Acetamido-5-amino-4-hydroxybenzenesulfonic acid

Chemical Property:

• Vapor Pressure: 0Pa at 25℃
• Melting Point: >300 °C(lit.)
• Refractive Index: 1.681
• Boiling Point: 411.6℃[at 101 325 Pa]
• PKA: -1.65±0.50(Predicted)
• Density: 1.686 g/cm³
• Solubility.: 666.667mg/L in organic solvents at 20 ℃
• Water Solubility.: 1.3-2g/L at 20-30℃
• XLogP3: -1.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 246.03104260
• Heavy Atom Count: 16
• Complexity: 363

Purity/Quality:

98% ^*data from raw suppliers

3-(Acetylamino)-5-amino-4-hydroxybenzenesulfonic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1=CC(=CC(=C1O)N)S(=O)(=O)O

Technology Process of 3-Acetamido-5-amino-4-hydroxybenzenesulfonic acid

There total 3 articles about 3-Acetamido-5-amino-4-hydroxybenzenesulfonic 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-acetylamino-4-hydroxy-5-nitro-benzenesulfonic acid (59115-12-7) → 3-acetylamino-5-amino-4-hydroxy-benzenesulfonic acid (40306-75-0)

Guidance literature:

With iron; acetic acid;

Reference yield:

2-hydroxy-3-nitroaniline-5-sulfonic acid (96-93-5) → 3-acetylamino-5-amino-4-hydroxy-benzenesulfonic acid (40306-75-0)

Guidance literature:

Multi-step reaction with 2 steps

1: durch Acetylieren

2: iron; acetic acid

With iron; acetic acid;

Reference yield:

3-acetylamino-4-hydroxy-5-nitro-benzenesulfonic acid (59115-12-7) + acetic acid (64-19-7,77671-22-8) → 3-acetylamino-5-amino-4-hydroxy-benzenesulfonic acid (40306-75-0)

Guidance literature:

upstream raw materials:

3-acetylamino-4-hydroxy-5-nitro-benzenesulfonic acid

acetic acid

2-hydroxy-3-nitroaniline-5-sulfonic acid