Description

2-Amino-4,5-dichlorobenzenesulfonic acid (CAS No. 6331-96-0) is a high-purity organic sulfonic acid derivative with the molecular formula C₆H₅Cl₂NO₃S. This compound is widely utilized in pharmaceutical and agrochemical research due to its versatile reactivity as an intermediate. Its structural features include a sulfonic acid group and two chlorine substituents on the benzene ring, making it a valuable building block for synthesizing dyes, pigments, and specialty chemicals. Available in powder or crystalline form, it is characterized by its excellent solubility in polar solvents and stability under standard laboratory conditions. Suitable for HPLC, LC-MS, and NMR analysis, this reagent is rigorously tested to meet the highest industry standards for purity (>98%) and consistency.

Properties

• CAS Number: 6331-96-0
• Complexity: 276
• IUPAC Name: 2-amino-4,5-dichloro-benzenesulfonic acid
• InChI: InChI=1S/C6H5Cl2NO3S/c7-3-1-5(9)6(2-4(3)8)13(10,11)12/h1-2H,9H2,(H,10,11,12)
• InChI Key: AKLDPNVZTZIVFA-UHFFFAOYSA-N
• Exact Mass: 240.9367196
• Molecular Formula: C6H5Cl2NO3S
• Molecular Weight: 242.08
• SMILES: C1=C(C(=CC(=C1Cl)Cl)S(=O)(=O)O)N
• Topological: 88.8
• Monoisotopic Mass: 240.9367196
• Synonyms: 2-amino-4,5-dichlorobenzenesulfonic acid, 6331-96-0, 3,4-DICHLOROANILINE-6-SULFONIC ACID, Benzenesulfonic acid, 2-amino-4,5-dichloro-, SPR3EJU6CK, 2-amino-4,5-dichlorobenzene-1-sulfonic acid, NSC 37399, NSC-37399, DTXSID5074921, EC 700-413-2, 3,4-DICHLOROANILINE-6-SULPHONIC ACID, 2-AMINO-4,5-DICHLOROBENZENESULPHONIC ACID, 2-AMINO-4,5-DICHLOROBENZENE-1-SULPHONIC ACID, BENZENESULPHONIC ACID, 2-AMINO-4,5-DICHLORO-, DTXCID8043816, 613-201-9, 700-413-2, 4,5-Dichloroaniline-2-sulfonic Acid, NSC37399, MFCD00036096, UNII-SPR3EJU6CK, SCHEMBL1733790, SCHEMBL1806254, AKLDPNVZTZIVFA-UHFFFAOYSA-N, AKOS015890259, 2-amino-4,5-dichlorobenzenesulfonicacid, AC-20532, AS-64527, DB-054457, CS-0157827, D3437, NS00009690, D90191, EN300-7400893, 2-Amino-4,5-dichlorobenzene-1-sulfonic acid; 2-Azaniumyl-4,5-dichlorobenzenesulfonate; 3,4-Dichloroaniline-6-sulfonic acid; NSC 37399; Benzenesulfonic acid, 2-amino-4,5-dichloro- (6CI, 7CI, 8CI, 9CI, ACI); 2-Amino-4,5-dichlorobenzenesulfonic acid (ACI)

2-Amino-4,5-dichlorobenzenesulfonic acid is primarily employed as a key intermediate in the synthesis of sulfonamide-based pharmaceuticals and herbicides. Its reactive sulfonic acid group facilitates coupling reactions in peptide and dye manufacturing. Researchers also utilize it in catalytic studies and as a precursor for functionalized aromatic compounds. Suitable for controlled-environment applications requiring precise chemical modifications.

Safety and Hazards

GHS Hazard Statements

• Not Classified
• Reported as not meeting GHS hazard criteria by 110 of 113 companies (only 2.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Hazard Classes and Categories

• Not Classified

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