3-(Diethylamino)benzenesulfonic acid

Base Information

• Chemical Name: 3-(Diethylamino)benzenesulfonic acid
• CAS No.: 97-20-1
• Molecular Formula: C10H15NO3S
• Molecular Weight: 229.3
• Hs Code.: 2921199090
• NSC Number: 8634
• DSSTox Substance ID: DTXSID20863492
• Nikkaji Number: J4.945J
• Mol file: 97-20-1.mol

Synonyms:3-(diethylamino)benzenesulfonic acid;97-20-1;N,N-Diethylmetanilic acid;3-(diethylamino)benzene-1-sulfonic acid;Diethylmetanilic acid;Metanilic acid,N-diethyl-;N,N-Diethyl-3-sulfoaniline;Diethylaniline-m-sulfonic acid;SCHEMBL6854169;DTXSID20863492;NSC8634;3-Diethylaminobenzenesulfonic acid;NSC 8634;NSC-8634;EINECS 202-566-6;m-(Diethylamino)benzenesulfonic acid;3-(Diethylamino)-benzenesulfonic acid;Benzenesulfonic acid, 3-(diethylamino)-;AS-62529;FT-0694572;D93057

Chemical Property of 3-(Diethylamino)benzenesulfonic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.57
• Boiling Point: 347.505°C at 760 mmHg
• Flash Point: 163.965°C
• PSA: 65.99000
• Density: 1.251 g/cm³
• LogP: 2.86030
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 229.07726451
• Heavy Atom Count: 15
• Complexity: 280

Purity/Quality:

98%min ^*data from raw suppliers

3-(DIETHYLAMINO)BENZENESULFONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=CC(=CC=C1)S(=O)(=O)O

Technology Process of 3-(Diethylamino)benzenesulfonic acid

There total 11 articles about 3-(Diethylamino)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:

N,N-diethylanilinium sulfate → o-diethylaminobenzenesulfonic acid (35478-72-9) + N,N-diethylsulfanilic acid (35478-73-0) + 3-diethylamino-benzenesulfonic acid (97-20-1)

Guidance literature:

With sulfuric acid; at 60 ℃; for 2h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

Reference yield:

N,N-diethylaniline (91-66-7) → o-diethylaminobenzenesulfonic acid (35478-72-9) + N,N-diethylsulfanilic acid (35478-73-0) + 3-diethylamino-benzenesulfonic acid (97-20-1)

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,N-diethylaniline (91-66-7) → N,N-diethylsulfanilic acid (35478-73-0) + 3-diethylamino-benzenesulfonic acid (97-20-1)

Guidance literature:

With sulfuric acid;

upstream raw materials:

chloroethane

3-aminobenzenesulfonic acid

N,N-diethylaniline

o-diethylaminobenzenesulfonic acid

Downstream raw materials:

3-diethylaminophenol

Refernces

• 1、 -. "Water soluble azo dyes and their synthesis and use". . . Retrieved 2008/06/13.
• 2、 Khelevin, R. N.. "KINETICS OF SULFONATION OF AMINES OF THE BENZENE SERIES IN APROTIC SOLVENTS". . p. 2276 - 2283. Retrieved 2007/10/02.