3,5-Diamino-4-methylbenzenesulfonic acid

Base Information

• Chemical Name: 3,5-Diamino-4-methylbenzenesulfonic acid
• CAS No.: 98-25-9
• Molecular Formula: C7H10 N2 O3 S
• Molecular Weight: 202.234
• European Community (EC) Number: 202-649-7
• NSC Number: 43299
• DSSTox Substance ID: DTXSID0059162
• Nikkaji Number: J182.127J
• Mol file: 98-25-9.mol

Synonyms:3,5-Diamino-4-methylbenzenesulfonic acid;98-25-9;2,6-Diaminotoluene-4-sulfonic acid;Benzenesulfonic acid, 3,5-diamino-4-methyl-;3,5-Diamino-p-toluenesulfonic acid;2,6-Diaminotoluene-4-sulphonic acid;EINECS 202-649-7;NSC 43299;2,6-Diamino toluene-4-sulfonic acid;NSC43299;N-Methyl2-Chloroacetamide;SCHEMBL4812412;2,6-diaminotoluen-4-sulfonsyre;DTXSID0059162;p-Toluenesulfonic acid,5-diamino-;NSC-43299;AKOS015842321;p-Toluenesulfonic acid, 3,5-diamino-;3,5-Diamino-4-methylbenzenesulfonicacid;AC-22496;Benzenesulfonic acid,5-diamino-4-methyl-;FT-0631507;A845829;W-100086;2-[[5-[5-[4-[1-(2-amino-7-methyl-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)ethylamino]phenyl]-2,3,4-trihydroxy-pentoxy]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxypentanedioic acid

Chemical Property of 3,5-Diamino-4-methylbenzenesulfonic acid

Chemical Property:

• Appearance/Colour: White powder.
• Melting Point: 162oC
• Refractive Index: 1.657
• Boiling Point: °Cat760mmHg
• PKA: -1.59±0.50(Predicted)
• Flash Point: °C
• PSA: 114.79000
• Density: 1.52g/cm³
• LogP: 2.64930
• Storage Temp.: 2-8°C
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 202.04121336
• Heavy Atom Count: 13
• Complexity: 260

Purity/Quality:

99.9% ^*data from raw suppliers

3,5-Diamino-4-methylbenzenesulfonicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1N)S(=O)(=O)O)N

Technology Process of 3,5-Diamino-4-methylbenzenesulfonic acid

There total 3 articles about 3,5-Diamino-4-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:

→ 1-methyl-2,6-diaminobenzene-4-sulphonic acid (98-25-9)

Guidance literature:

With ammonium sulfide;

Reference yield:

2-amino-6-nitro-toluene-4-sulfonic acid (138911-67-8) → 1-methyl-2,6-diaminobenzene-4-sulphonic acid (98-25-9)

Guidance literature:

With hydrogenchloride; tin;

Reference yield:

→ 1-methyl-2,6-diaminobenzene-4-sulphonic acid (98-25-9)

Guidance literature:

upstream raw materials:

2-amino-6-nitro-toluene-4-sulfonic acid

Downstream raw materials:

(3-amino-2-methyl-5-sulfo-phenyl)-oxalamic acid

2,6-toluenediamine-4-sulfonic acid sodium salt

Refernces