2-Amino-4,5-dichlorobenzenesulfonic acid

Base Information

• Chemical Name: 2-Amino-4,5-dichlorobenzenesulfonic acid
• CAS No.: 6331-96-0
• Molecular Formula: C6H5Cl2NO3S
• Molecular Weight: 242.083
• Hs Code.: 2921420090
• European Community (EC) Number: 700-413-2,613-201-9
• NSC Number: 37399
• UNII: SPR3EJU6CK
• DSSTox Substance ID: DTXSID5074921
• Nikkaji Number: J2.649.687J
• Mol file: 6331-96-0.mol

Synonyms:2-amino-4,5-dichlorobenzenesulfonic acid;6331-96-0;3,4-DICHLOROANILINE-6-SULFONIC ACID;4,5-Dichloroaniline-2-sulfonic Acid;Benzenesulfonic acid, 2-amino-4,5-dichloro-;SPR3EJU6CK;2-amino-4,5-dichlorobenzene-1-sulfonic acid;NSC 37399;NSC-37399;EC 700-413-2;NSC37399;UNII-SPR3EJU6CK;SCHEMBL1733790;DTXSID5074921;3,4-Dichloroaniline-6-sulfonicacid;AMY40842;MFCD00036096;AKOS015890259;2-amino-4,5-dichlorobenzenesulfonicacid;AC-20532;AS-64527;CS-0157827;D3437;FT-0636100;3,4-DICHLOROANILINE-6-SULPHONIC ACID;D90191;EN300-7400893;2-AMINO-4,5-DICHLOROBENZENESULPHONIC ACID;A834328;2-AMINO-4,5-DICHLOROBENZENE-1-SULPHONIC ACID;BENZENESULPHONIC ACID, 2-AMINO-4,5-DICHLORO-

Chemical Property of 2-Amino-4,5-dichlorobenzenesulfonic acid

Chemical Property:

• Appearance/Colour: white to yellowish powder
• Vapor Pressure: 0Pa at 25℃
• Melting Point: 8-10°C(lit.)
• Refractive Index: 1.716
• Boiling Point: 270°C(lit.)
• PKA: 0.76±0.10(Predicted)
• Flash Point: 270°F
• PSA: 88.77000
• Density: 1.749 g/cm³
• LogP: 3.48430
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 240.9367196
• Heavy Atom Count: 13
• Complexity: 276

Purity/Quality:

99% ^*data from raw suppliers

4,5-Dichloroaniline-2-sulfonic Acid >98.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Cl)Cl)S(=O)(=O)O)N

Technology Process of 2-Amino-4,5-dichlorobenzenesulfonic acid

There total 2 articles about 2-Amino-4,5-dichlorobenzenesulfonic 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: 96.8%

m,p-dichloroaniline (95-76-1) → 1-amino-3,4-dichlorobenzene-6-sulfonic acid (6331-96-0)

Guidance literature:

With sulfuric acid; at 80 - 200 ℃; for 2.5h; under 300.03 - 675.068 Torr; pH=9; Pressure; Temperature; pH-value; Large scale;

Reference yield:

→ 1-amino-3,4-dichlorobenzene-6-sulfonic acid (6331-96-0)

Guidance literature:

at 200 ℃;

Reference yield: 87.0%

1-amino-3,4-dichlorobenzene-6-sulfonic acid (6331-96-0) → 4,5-dichloro-2-iodobenzenesulfonic acid

Guidance literature:

1-amino-3,4-dichlorobenzene-6-sulfonic acid; With sodium carbonate; In water;

With sodium nitrite; In water; at 0 ℃; for 0.75h; Further stages;

DOI:10.1002/anie.202013275

upstream raw materials:

m,p-dichloroaniline

Downstream raw materials:

2-(5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-ylazo)-4,5-dichloro-benzenesulfonic acid

4,5-Dichloro-2-(4,6-diamino-2-ethylsulfanyl-pyrimidin-5-ylazo)-benzenesulfonic acid

2-(4-Amino-2-diethylamino-6-methyl-pyrimidin-5-ylazo)-4,5-dichloro-benzenesulfonic acid

2-(2-Acetylamino-4-diethylamino-phenylazo)-4,5-dichloro-benzenesulfonic acid

Refernces