4-Acetamido-2-aminobenzenesulfonic acid

Base Information

• Chemical Name: 4-Acetamido-2-aminobenzenesulfonic acid
• CAS No.: 88-64-2
• Molecular Formula: C8H10N2O4S
• Molecular Weight: 230.244
• Hs Code.: 2924299090
• European Community (EC) Number: 201-847-0
• NSC Number: 36986
• UNII: QE27AMZ5ZC
• DSSTox Substance ID: DTXSID6058974
• Nikkaji Number: J55.340I
• Wikidata: Q72433978
• Mol file: 88-64-2.mol

Synonyms:4-Acetamido-2-aminobenzenesulfonic acid;88-64-2;3-Aminoacetanilide-4-sulfonic acid;4-(Acetylamino)-2-aminobenzenesulfonic acid;Benzenesulfonic acid, 4-(acetylamino)-2-amino-;2-Amino 4-acetamidobenzenesulfonic acid;Benzenesulfonic acid, 4-acetamido-2-amino-;3-Amino acetanilide-4-sulfonic acid;5-Acetylaminoaniline-2-sulfonic acid;ACETANILIDE-4-SULFONIC ACID, 3-AMINO-;4-Acetamido-2-aminobenzenesulphonic acid;EINECS 201-847-0;NSC 36986;QE27AMZ5ZC;BRN 3335986;NSC-36986;4-(acetylamino)-2-amino-benzenesulfonic acid;3-14-00-02203 (Beilstein Handbook Reference);Acetyl MPDSA;UNII-QE27AMZ5ZC;WLN: WSQR BZ DMV1;5-Azetylamino-2-sulfoanilin;3'-Amino-4'-sulfoacetanilide;SCHEMBL1755227;DTXSID6058974;4-acetamido-2-aminobenzensulfonsyre;NSC36986;3'-Aminoacetanilide-4'-sulfonic acid;AKOS015897403;CS-W014183;2-amino-4-acetamidobenzenesulfonic acid;2-Amino-4-acetamido benzenesulfonic acid;AC-13320;AS-64086;4-(Acetamido)-2-Aminobenzenesulfonic Acid;2-amino-4-acetamidobenzene-1-sulfonic acid;3-AMINOACETANILIDE-4-SULPHONIC ACID;2-Amino-4-(acetylamino)benzenesulfonic acid;FT-0631419;3-acetylamino-1-aminobenzene-6-sulphonic acid;ACETANILIDE-4-SULPHONIC ACID, 3-AMINO-;D88488;A842796;BENZENESULPHONIC ACID, 4-ACETAMIDO-2-AMINO-;W-100396;BENZENESULPHONIC ACID, 4-(ACETYLAMINO)-2-AMINO-;4-acetamido-2-amino-benzenesulfonate

Chemical Property of 4-Acetamido-2-aminobenzenesulfonic acid

Chemical Property:

• Appearance/Colour: light grey-beige powder
• Melting Point: 90-92 °C(lit.)
• Refractive Index: 1.5690 (estimate)
• PKA: -1.34±0.50(Predicted)
• PSA: 117.87000
• Density: 1.56 g/cm³
• LogP: 2.20890
• Storage Temp.: Room Temperature
• Solubility.: DMSO
• 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:

97% ^*data from raw suppliers

4-(Acetylamino)-2-aminobenzenesulfonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: Xi,C
• Statements: 36/37/38-34
• Safety Statements: 26-36/37-45-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC(=C(C=C1)S(=O)(=O)O)N
• Uses: 4-(Acetylamino)-2-aminobenzenesulfonic Acid is used in the synthesis of monoazo anionic dyes.

Technology Process of 4-Acetamido-2-aminobenzenesulfonic acid

There total 3 articles about 4-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:

→ 2-amino-4-acetylaminobenzene sulfonic acid (88-64-2)

Guidance literature:

With ethanol; platinum; Hydrogenation;

DOI:10.1021/ja01178a524

Reference yield:

2,4-Diaminobenzenesulfonic acid (88-63-1) + acetic anhydride (108-24-7) → 2-amino-4-acetylaminobenzene sulfonic acid (88-64-2)

Guidance literature:

With alkali; at 50 ℃;

Reference yield:

→ 2-amino-4-acetylaminobenzene sulfonic acid (88-64-2)

Guidance literature:

upstream raw materials:

2,4-Diaminobenzenesulfonic acid

acetic anhydride

Downstream raw materials:

2-acetoxy-4-acetylamino-benzenesulfonic acid ; compound with pyridine