4-Amino-2-methylbenzenesulfonic acid

Base Information

• Chemical Name: 4-Amino-2-methylbenzenesulfonic acid
• CAS No.: 133-78-8
• Molecular Formula: C7H9 N O3 S
• Molecular Weight: 187.219
• Hs Code.: 2921430090
• European Community (EC) Number: 205-120-9
• DSSTox Substance ID: DTXSID40157901
• Nikkaji Number: J36.209C
• Wikidata: Q83026060
• Mol file: 133-78-8.mol

Synonyms:m-Toluidine-4-sulfonic Acid;133-78-8;4-amino-2-methylbenzenesulfonic acid;o-Toluenesulfonic acid, 4-amino-;BRN 2098723;4-Amino-o-toluenesulfonic acid;5-Aminotoluene-2-sulphonic acid;EINECS 205-120-9;Kyselina 3-toluidin-6-sulfonova [Czech];Kyselina 3-toluidin-6-sulfonova;3-14-00-02210 (Beilstein Handbook Reference);Benzenesulfonic acid, 4-amino-2-methyl-;SCHEMBL158650;5-Aminotoluene-2-sulfonic Acid;3-Methylaniline-4-sulfonic Acid;DTXSID40157901;4-amino methyl benzenesulfonic acid;MFCD00035774;3-AMINOTOLUENE-6-SULFONIC ACID;4-azanyl-2-methyl-benzenesulfonic acid;4-amino-2-methylbenzene-1-sulfonic acid;AS-64046;LS-154158;A0329;CS-0120437;FT-0631775;D88245;A806677

Chemical Property of 4-Amino-2-methylbenzenesulfonic acid

Chemical Property:

• Refractive Index: 1.6100 (estimate)
• Boiling Point: °Cat760mmHg
• PKA: -1.13±0.50(Predicted)
• Flash Point: °C
• PSA: 88.77000
• Density: 1.431g/cm³
• LogP: 2.48590
• Water Solubility.: 4.5g/L(20 oC)
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 187.03031432
• Heavy Atom Count: 12
• Complexity: 244

Purity/Quality:

98%,99%, ^*data from raw suppliers

m-Toluidine-4-sulfonic Acid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)N)S(=O)(=O)O

Technology Process of 4-Amino-2-methylbenzenesulfonic acid

There total 11 articles about 4-Amino-2-methylbenzenesulfonic 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: 58.0%

m-ditoluidinium sulfate (73291-07-3,73297-49-1,74753-20-1) → 4-amino-2-methylbenzenesulphonic acid (133-78-8)

Guidance literature:

at 240 ℃; for 1h; under 60 Torr;

Reference yield:

5-sulfamino-toluene-2-sulfonic acid (854811-60-2) → 4-amino-2-methylbenzenesulphonic acid (133-78-8)

Guidance literature:

With hydrogenchloride;

Reference yield:

m-toluidine; hydrogen sulfate (73291-07-3) → 4-amino-2-methylbenzenesulphonic acid (133-78-8)

Guidance literature:

at 180 ℃;

DOI:10.1002/hlca.193201501163

upstream raw materials:

5-sulfamino-toluene-2-sulfonic acid

m-toluidine; hydrogen sulfate

1-amino-3-methylbenzene

m-ditoluidinium sulfate

Downstream raw materials:

3-methyl-2,4,6-tribromoaniline

Refernces

• 1、 -. "Alkanol substituted disazo orange dye for nylon". . . Retrieved 2008/06/13.
• 2、 -. "Reactive dyestuffs comprising a triazine moiety and a vinylsulfonyl moiety both being linked by a substituted alkylene bridge member". . . Retrieved 2008/06/13.