Benzenesulfonic acid, 4-[(ethylphenylamino)methyl]-

Base Information

• Chemical Name: Benzenesulfonic acid, 4-[(ethylphenylamino)methyl]-
• CAS No.: 92-60-4
• Molecular Formula: C15H17NO3S
• Molecular Weight: 291.371
• Hs Code.: 2921499090
• European Community (EC) Number: 202-170-3
• NSC Number: 8644
• UNII: Z3DU75V1GX
• DSSTox Substance ID: DTXSID8059059
• Nikkaji Number: J168.591K
• Wikidata: Q27294945
• Mol file: 92-60-4.mol

Synonyms:92-60-4;4-((Ethylanilino)methyl)benzenesulphonic acid;Benzenesulfonic acid, 4-[(ethylphenylamino)methyl]-;4-[(N-ethylanilino)methyl]benzenesulfonic acid;UNII-Z3DU75V1GX;4-{[ethyl(phenyl)amino]methyl}benzenesulfonic acid;Z3DU75V1GX;4-((Ethylphenylamino)methyl)benzenesulfonic acid;NSC 8644;NSC-8644;EINECS 202-170-3;4-[(ETHYLANILINO)METHYL]BENZENESULPHONIC ACID;Benzenesulfonic acid, 4-((ethylphenylamino)methyl)-;alpha-(N-Ethylanilino)-p-toluenesulfonic acid;.alpha.-(N-Ethylanilino)-p-toluenesulfonic acid;p-Toluenesulfonic acid, .alpha.-(N-ethylanilino)-;4-((Ethylanilino)methyl)benzenesulphonicacid;4-[(ethylanilino)methyl]benzenesulphonicacid;SCHEMBL2112571;DTXSID8059059;NSC8644;N-Ethyl-N-(4-sulfobenzyl)aniline;4-[(ethylanilino)methyl]benzensulfonsyre;p-Toluenesulfonic acid, alpha-(N-ethylanilino)-;Q27294945

Chemical Property of Benzenesulfonic acid, 4-[(ethylphenylamino)methyl]-

Chemical Property:

• Melting Point: 92-96 °C(lit.)
• Refractive Index: 1.617
• PSA: 65.99000
• Density: 1.281 g/cm³
• LogP: 4.04060
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 291.09291458
• Heavy Atom Count: 20
• Complexity: 376

Purity/Quality:

98%min ^*data from raw suppliers

4-((ETHYLANILINO)METHYL)BENZENESULPHONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC1=CC=C(C=C1)S(=O)(=O)O)C2=CC=CC=C2

Technology Process of Benzenesulfonic acid, 4-[(ethylphenylamino)methyl]-

There total 4 articles about Benzenesulfonic acid, 4-[(ethylphenylamino)methyl]- 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:

sulfuric acid (7664-93-9) + N-benzyl-N-ethylaniline (92-59-1) → 4-(N-ethyl-anilinomethyl)-benzenesulfonic acid (92-60-4) + 2-(N-ethyl-anilinomethyl)-benzenesulfonic acid (4544-74-5) + N-ethyl-N-benzylaniline-3'-sulfonic acid (101-11-1)

Guidance literature:

DOI:10.1002/hlca.19420250610

Reference yield:

N-benzyl-N-ethylaniline (92-59-1) → 4-(N-ethyl-anilinomethyl)-benzenesulfonic acid (92-60-4)

Guidance literature:

With sulfuric acid;

DOI:10.1002/hlca.19420250610

Reference yield:

water (7732-18-5) + N,N-dimethyl-3-sulfo-N-(4-sulfo-benzyl)-anilinium betaine (749828-36-2) + N-ethyl-N-phenylamine (103-69-5) → N,N-dimethyl-m-aminobenzenesulfonic acid (618-09-7) + 4-(N-ethyl-anilinomethyl)-benzenesulfonic acid (92-60-4)

Guidance literature:

upstream raw materials:

N-benzyl-N-ethylaniline

sulfuric acid

water

N,N-dimethyl-3-sulfo-N-(4-sulfo-benzyl)-anilinium betaine