N,N-Diethylsulphanilic acid

Base Information

• Chemical Name: N,N-Diethylsulphanilic acid
• CAS No.: 35478-73-0
• Molecular Formula: C10H15NO3S
• Molecular Weight: 229.3
• Hs Code.: 2921199090
• European Community (EC) Number: 252-588-5
• UNII: 67VM6KQG3T
• DSSTox Substance ID: DTXSID30188986
• Nikkaji Number: J260.631C
• Wikidata: Q83060883
• Mol file: 35478-73-0.mol

Synonyms:4-(diethylamino)benzenesulfonic acid;35478-73-0;N,N-Diethylsulphanilic acid;67VM6KQG3T;p-Diethylanilinesulfonic acid;EINECS 252-588-5;Benzenesulfonic acid, 4-(diethylamino)-;UNII-67VM6KQG3T;SCHEMBL3229040;DTXSID30188986;N,N-DIETHYLSULFANILIC ACID;4-(diethylamino)benzenesulfonicacid;ADAL1091329;4-(diethylamino)benzene-1-sulfonic acid;P-(DIETHYLAMINO)BENZENESULFONIC ACID;A912791;W-202453

Chemical Property of N,N-Diethylsulphanilic acid

Chemical Property:

• Melting Point: 285 °C (decomp)
• Boiling Point: °Cat760mmHg
• PKA: -1.15±0.50(Predicted)
• Flash Point: °C
• PSA: 65.99000
• Density: 1.251g/cm³
• LogP: 2.86030
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 229.07726451
• Heavy Atom Count: 15
• Complexity: 272

Purity/Quality:

99% ^*data from raw suppliers

4-(Diethylamino)benzenesulfonicacid 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C1=CC=C(C=C1)S(=O)(=O)O
• Use Description: N,N-diethylsulfanilic acid, also known as sulfanilic acid diethylamine salt, has various applications in different fields. In the chemical industry, it serves as a crucial intermediate in the synthesis of dyes and pigments, particularly azo dyes used in the textile, food, and cosmetics industries. Sulfanilic acid derivatives are essential for providing coloration to a wide range of products. Additionally, in water treatment and analytical chemistry, this compound is used as a reagent for detecting and quantifying nitrite ions, playing a critical role in monitoring water quality and ensuring compliance with safety standards. Furthermore, it has utility in academic research, where it can be employed as a model compound in organic synthesis and chemical reactions, contributing to the study and development of new chemical methodologies. Its versatility across these fields highlights its significance in providing coloration, safeguarding water quality, and advancing chemical research and applications.

Technology Process of N,N-Diethylsulphanilic acid

There total 13 articles about N,N-Diethylsulphanilic 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: 94.0%

N,N-diethylaniline (91-66-7) → N,N-diethylsulfanilic acid (35478-73-0)

Guidance literature:

With chlorosulfonate de trimethylsilyle; Ambient temperature;

Reference yield: 0.4%

N,N-diethylaniline (91-66-7) → o-diethylaminobenzenesulfonic acid (35478-72-9) + N,N-diethylsulfanilic acid (35478-73-0)

Guidance literature:

With chlorosulfonic acid; In 1,2-dichloro-benzene; at 80 ℃; for 1h; Product distribution; Kinetics; Mechanism; E(activ), oth. temperatures;

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;

upstream raw materials:

N,N-diethylaniline

4-(diethylamino)azobenzene

o-diethylaminobenzenesulfonic acid

diethylanilinesulfotrioxide

Downstream raw materials:

o-diethylaminobenzenesulfonic acid

3-diethylamino-benzenesulfonic acid

4-(diethylamino)-benzenesulphonyl chloride

N,N-diethylaniline

Refernces

• 1、 Toja,Parini,Bonetti,Hunt,Fortin,Barzaghi,Cesana,Maggioni,Nencioni,Galliani. "New classes of antimuscarinic agents endowed with selective antispasmodic properties. 1-Arylsulfonyl pyrrolidin-2-ones and 2-thiones, 1-arylsulfonyl piperidin-2-ones and 2-thiones and 1-arylsulfonyl hexahydro-2H-azepin-2-one". . p. 501 - 509. Retrieved 2007/10/02.
• 2、 Khelevin, R. N.. "KINETICS OF SULFONATION OF AMINES OF THE BENZENE SERIES WITH SULFUR TRIOXIDE". . p. 535 - 539. Retrieved 2007/10/02.