4-(Methylamino)benzenesulfonic acid

Base Information

• Chemical Name: 4-(Methylamino)benzenesulfonic acid
• CAS No.: 24447-99-2
• Molecular Formula: C7H9 N O3 S
• Molecular Weight: 187.219
• Hs Code.: 2921199090
• European Community (EC) Number: 246-256-9
• NSC Number: 163928
• DSSTox Substance ID: DTXSID20179207
• Nikkaji Number: J287.251J
• Wikidata: Q83049709
• Mol file: 24447-99-2.mol

Synonyms:4-(methylamino)benzenesulfonic acid;24447-99-2;N-METHYLSULFANILIC ACID;4-(Methylamino)benzenesulphonic acid;4-(methylamino)benzene-1-sulfonic acid;EINECS 246-256-9;N-Methylsulphanilic Acid;Benzenesulfonic acid,4-(methylamino)-;Maybridge1_004198;SCHEMBL35747;N-Methylsulfanilic acid, 98+%;HMS553G20;DTXSID20179207;4-(methylamino)benzenesulfonicacid;STR04565;CCG-44466;MFCD00014732;NSC163928;N-METHYLANILINE-P-SULFONICACID;AKOS005202999;NSC 163928;NSC-163928;FT-0759701;EN300-7816741;SR-01000634300-1

Chemical Property of 4-(Methylamino)benzenesulfonic acid

Chemical Property:

• Melting Point: 260°C (dec.)
• Boiling Point: °Cat760mmHg
• PKA: -1.17±0.50(Predicted)
• Flash Point: °C
• PSA: 74.78000
• Density: 1.421g/cm³
• LogP: 2.12880
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 187.03031432
• Heavy Atom Count: 12
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

N-MethylsulphanilicAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=CC=C(C=C1)S(=O)(=O)O
• Uses: N-Methylsulphanilic Acid is used in preparation of whole-plastic bicycle frame.

Technology Process of 4-(Methylamino)benzenesulfonic acid

There total 17 articles about 4-(Methylamino)benzenesulfonic 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: 2.9%

N-methylaniline (100-61-8) → N-methylsulphanilic acid (24447-99-2) + N-methylorthanilic acid (70916-29-9)

Guidance literature:

With chlorosulfonic acid; In 1,2-dichloro-benzene; at 135 ℃; for 1h; Product distribution; Kinetics; Mechanism; E(activ), oth. temperatures;

Reference yield:

N-methylaniline (100-61-8) → N-methylsulphanilic acid (24447-99-2) + N-methylorthanilic acid (70916-29-9) + 3-(methylamino)benzenesulfonic acid (71794-43-9)

Guidance literature:

With sulfuric acid; at 90 ℃; Kinetics; Rate constant; Thermodynamic data; other temp.(90 - 210 deg C); other conc.H₂SO₄ (80.06 - 99.71percent); E-activation;

Reference yield:

N-methylaniline (100-61-8) → N-methylsulphanilic acid (24447-99-2)

Guidance literature:

With sulfuric acid;

upstream raw materials:

4-(N-acetyl-N-methylamino)benzenesulfonyl chloride

N-methyl-N-(toluene-4-sulfonyl)-sulfanilic acid

sodium sulfanilate

N-methylaniline

Downstream raw materials:

N-methylorthanilic acid

3-(methylamino)benzenesulfonic acid

N-methylaniline