o-Toluidinomethanesulfonic acid

Base Information

• Chemical Name: o-Toluidinomethanesulfonic acid
• CAS No.: 94-57-5
• Molecular Formula: C8H11 N O3 S
• Molecular Weight: 201.246
• Hs Code.: 2921499090
• European Community (EC) Number: 202-343-3
• NSC Number: 11212
• UNII: 9U9F2G2ZPZ
• DSSTox Substance ID: DTXSID1059105
• Nikkaji Number: J182.104K
• Wikidata: Q81988666
• Mol file: 94-57-5.mol

Synonyms:o-Toluidinomethanesulfonic acid;94-57-5;o-Toluidinomethanesulphonic acid;Methanesulfonic acid, o-toluidino-;Methanesulfonic acid, [(2-methylphenyl)amino]-;9U9F2G2ZPZ;Methanesulfonic acid, ((2-methylphenyl)amino)-;EINECS 202-343-3;NSC 11212;NSC-11212;Methanesulfonic acid, 1-((2-methylphenyl)amino)-;[(2-methylphenyl)amino]methanesulfonic acid;o-toluidinomethansulfonsyre;UNII-9U9F2G2ZPZ;NCIOpen2_004444;DTXSID1059105;SCHEMBL11148697;Methanesulphonic acid, o-toluidino-;NSC11212;Methanesulphonic acid, ((2-methylphenyl)amino)-;Methanesulphonic acid, 1-((2-methylphenyl)amino)-

Chemical Property of o-Toluidinomethanesulfonic acid

Chemical Property:

• PSA: 74.78000
• LogP: 2.40600
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 201.04596439
• Heavy Atom Count: 13
• Complexity: 245

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1NCS(=O)(=O)O

Technology Process of o-Toluidinomethanesulfonic acid

There total 1 articles about o-Toluidinomethanesulfonic 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:

→ o-toluidino-methanesulfonic acid (94-57-5)

Guidance literature:

Geschwindigkeit;

DOI:10.1248/cpb.24.349

Refernces