Benzenesulfonic acid, 3-amino-5-chloro-4-methyl-

Base Information

• Chemical Name: Benzenesulfonic acid, 3-amino-5-chloro-4-methyl-
• CAS No.: 6387-27-5
• Molecular Formula: C7H8 Cl N O3 S
• Molecular Weight: 221.664
• European Community (EC) Number: 228-993-8
• UNII: C9Q2C8P92X
• DSSTox Substance ID: DTXSID3064304
• Nikkaji Number: J166.398D
• Wikidata: Q209307
• Mol file: 6387-27-5.mol

Synonyms:6387-27-5;3-amino-5-chloro-4-methylbenzenesulfonic acid;Benzenesulfonic acid, 3-amino-5-chloro-4-methyl-;2-Amino-6-chlorotoluene-4-sulphonic acid;EINECS 228-993-8;C9Q2C8P92X;2-Amino-6-chlorotoluene-4-sulfonic acid;ACTS;UNII-C9Q2C8P92X;SCHEMBL176914;DTXSID3064304;p-Toluenesulfonic acid, 3-amino-5-chloro-;3-CHLORO-2-TOLUIDINE-5-SULFONIC ACID;Q209307

Chemical Property of Benzenesulfonic acid, 3-amino-5-chloro-4-methyl-

Chemical Property:

• PKA: -1.36±0.50(Predicted)
• PSA: 88.77000
• Density: 1.553g/cm³
• LogP: 3.13930
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 220.9913420
• Heavy Atom Count: 13
• Complexity: 274

Purity/Quality:

95% ^*data from raw suppliers

3-CHLORO-2-TOLUIDINE-5-SULFONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1Cl)S(=O)(=O)O)N