5-Acetamido-2-aminobenzenesulfonic acid

Base Information

• Chemical Name: 5-Acetamido-2-aminobenzenesulfonic acid
• CAS No.: 96-78-6
• Molecular Formula: C8H10N2O4S
• Molecular Weight: 230.244
• European Community (EC) Number: 202-534-1
• NSC Number: 36988
• DSSTox Substance ID: DTXSID7059141
• Nikkaji Number: J168.275J
• Wikidata: Q72437676
• Mol file: 96-78-6.mol

Synonyms:4-Aminoacetanilide-3-sulfonic acid;96-78-6;5-Acetamido-2-aminobenzenesulfonic acid;Benzenesulfonic acid, 5-(acetylamino)-2-amino-;5-Acetamido-2-aminobenzenesulphonic acid;4-Aminoacetanilide-3-sulfonicacid;4-(Acetylamino)aniline-2-sulfonic acid;5-(Acetylamino)-2-aminobenzenesulfonic acid;EINECS 202-534-1;NSC 36988;Benzenesulfonic acid, 5-acetamido-2-amino-;NSC36988;2-Amino-5-(acetylamino)benzenesulfonic acid;SCHEMBL66550;CBDivE_010505;DTXSID7059141;5-acetamido-2-aminobenzensulfonsyre;NSC-36988;5-Acetamido-2-amino-benzolsulfonsaure;2-amino-5-acetylaminobenzenesulfonic acid;FT-0607278;SR-01000201115;SR-01000201115-1;W-109364;1-ACETYLAMINO-4-AMINOBENZENE-3-SULFONIC ACID

Chemical Property of 5-Acetamido-2-aminobenzenesulfonic acid

Chemical Property:

• Vapor Pressure: 0Pa at 25℃
• Melting Point: 227-230°C(lit.)
• Refractive Index: 1.648
• Boiling Point: 320-330 °C
• PKA: -1.23±0.45(Predicted)
• Flash Point: 320-330°C
• PSA: 117.87000
• Density: 1.56 g/cm³
• LogP: 2.20890
• Water Solubility.: 13.5g/L at 20℃
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 230.03612798
• Heavy Atom Count: 15
• Complexity: 335

Purity/Quality:

98% ^*data from raw suppliers

4-Aminoacetanilide-3-sulfonic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC(=C(C=C1)N)S(=O)(=O)O

Technology Process of 5-Acetamido-2-aminobenzenesulfonic acid

There total 1 articles about 5-Acetamido-2-aminobenzenesulfonic 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:

acetic anhydride (108-24-7) → 1-amino-4-acetylaminobenzene-2-sulphonic acid (96-78-6)

Guidance literature:

With water;

Reference yield: 64.0%

1-amino-4-acetylaminobenzene-2-sulphonic acid (96-78-6) + 2,5-bis-(2-acetoxyethyloxy)aniline (117541-83-0) → 4-(4-acetylamino-2-sulphophenylazo)-2,5-di(2-acetoxyethoxy)aniline (637011-53-1)

Guidance literature:

1-amino-4-acetylaminobenzene-2-sulphonic acid; With hydrogenchloride; aminosulfonic acid; sodium nitrite; In water; at 10 ℃; for 1.5h; pH=9;

2,5-bis-(2-acetoxyethyloxy)aniline; With pyridine; In water; acetone; at 0 - 20 ℃;

Reference yield:

1-amino-4-acetylaminobenzene-2-sulphonic acid (96-78-6) → C8H8N3O4S(1+)*Cl(1-)

Guidance literature:

With hydrogenchloride; sodium nitrite; In water; at 0 - 5 ℃; for 1h;

upstream raw materials:

acetic anhydride

Downstream raw materials:

4-(4-acetylamino-2-sulphophenylazo)-2,5-di(2-acetoxyethoxy)aniline