o-Anisidinomethanesulfonic acid

Base Information

• Chemical Name: o-Anisidinomethanesulfonic acid
• CAS No.: 93-13-0
• Molecular Formula: C8H11NO4S
• Molecular Weight: 217.246
• Hs Code.: 2922299090
• European Community (EC) Number: 202-220-4
• NSC Number: 7549
• UNII: 06AHF6RL82
• DSSTox Substance ID: DTXSID0059081
• Nikkaji Number: J182.090G
• Wikidata: Q27236198
• Mol file: 93-13-0.mol

Synonyms:o-Anisidinomethanesulfonic acid;93-13-0;O-Anisidyl-N-methanesulfonic acid;Methanesulfonic acid, o-anisidino-;[(2-methoxyphenyl)amino]methanesulfonic acid;(2-methoxyanilino)methanesulfonic acid;Methanesulfonic acid, [(2-methoxyphenyl)amino]-;UNII-06AHF6RL82;06AHF6RL82;((2-Methoxyphenyl)amino)methanesulfonic acid;HSDB 5282;Methanesulfonic acid, ((2-methoxyphenyl)amino)-;NSC 7549;NSC-7549;EINECS 202-220-4;[(2-METHOXYPHENYL)AMINO]METHANESULPHONIC ACID;Methanesulfonic acid, 1-((2-methoxyphenyl)amino)-;((2-Methoxyphenyl)amino)methanesulphonic acid;N-Sulfomethyl-o-anisidin;NCIOpen2_004168;SCHEMBL2914972;DTXSID0059081;NSC7549;C6H13O14P3;C6-H13-O14-P3;[(2-methoxyphenyl)amino]methansulfonsyre;2-METHOXYANILINOMETHANESULFONIC ACID;Q27236198;METHANESULFONIC ACID,1-[(2-METHOXYPHENYL)AMINO]-;((2-METHOXYPHENYL)AMINO)METHANESULPHONIC ACID [HSDB]

Chemical Property of o-Anisidinomethanesulfonic acid

Chemical Property:

• PKA: -1.09±0.50(Predicted)
• PSA: 84.01000
• Density: 1.434 g/cm³
• LogP: 2.10620
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 217.04087901
• Heavy Atom Count: 14
• Complexity: 259

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Aromatics (Nitrogen)
• Canonical SMILES: COC1=CC=CC=C1NCS(=O)(=O)O

Technology Process of o-Anisidinomethanesulfonic acid

There total 1 articles about o-Anisidinomethanesulfonic 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-methoxyphenyl)amino]methanesulfonic acid (93-13-0)

Guidance literature:

Geschwindigkeit;

DOI:10.1248/cpb.24.349

Reference yield:

[(2-methoxyphenyl)amino]methanesulfonic acid (93-13-0) + Bronner acid (93-00-5) → C18H17N3O7S2

Guidance literature:

Bronner acid; With hydrogenchloride; sodium nitrite; In water; at 5 ℃; for 1h;

[(2-methoxyphenyl)amino]methanesulfonic acid; With sodium hydrogencarbonate; In water; at 20 ℃; for 4h; pH=4.3 - 4.5;

Refernces