4-{[(4-Chlorophenyl)sulfanyl]methyl}phenylamine

Base Information

• Chemical Name: 4-{[(4-Chlorophenyl)sulfanyl]methyl}phenylamine
• CAS No.: 6969-14-8
• Molecular Formula: C₁₃H₁₂ClNS
• Molecular Weight: 249.764
• Hs Code.: 2930909090
• NSC Number: 66210
• UNII: JT6548MT6K
• DSSTox Substance ID: DTXSID60219979
• Nikkaji Number: J85.085C
• Wikidata: Q83097039
• ChEMBL ID: CHEMBL1449803
• Mol file: 6969-14-8.mol

Synonyms:6969-14-8;4-{[(4-chlorophenyl)sulfanyl]methyl}phenylamine;4-(((4-Chlorophenyl)thio)methyl)aniline;4-[(4-chlorophenyl)sulfanylmethyl]aniline;4-{[(4-chlorophenyl)sulfanyl]methyl}aniline;p-Toluidine, alpha-(p-chlorophenylthio)-;4-([(4-chlorophenyl)sulfanyl]methyl)phenylamine;Benzenamine, 4-(((4-chlorophenyl)thio)methyl)-;C13H12ClNS;JT6548MT6K;NSC-66210;NSC 66210;alpha-(p-Chlorophenylthio)-p-toluidine;BRN 2728581;NSC66210;UNII-JT6548MT6K;MLS000695191;CHEMBL1449803;DTXSID60219979;HMS2662H15;MFCD00172478;4-((4-chlorophenylthio)methyl)aniline;AKOS000213468;1H-402S;SB81094;NCGC00246534-01;SMR000333623;FT-0636320;.ALPHA.-(P-CHLOROPHENYLTHIO)-P-TOLUIDINE;4-(((4-CHLOROPHENYL)THIO)METHYL)BENZENAMINE;J-513131;P-TOLUIDINE, .ALPHA.-(P-CHLOROPHENYLTHIO)-

Chemical Property of 4-{[(4-Chlorophenyl)sulfanyl]methyl}phenylamine

Chemical Property:

• Vapor Pressure: 7.25E-07mmHg at 25°C
• Melting Point: 98-100°C
• Boiling Point: 408°C at 760 mmHg
• Flash Point: 200.5°C
• PSA: 51.32000
• Density: 1.27g/cm³
• LogP: 4.79570
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 249.0378983
• Heavy Atom Count: 16
• Complexity: 196

Purity/Quality:

98%min ^*data from raw suppliers

4-{[(4-Chlorophenyl)sulfanyl]methyl}phenylamine >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)N

Technology Process of 4-{[(4-Chlorophenyl)sulfanyl]methyl}phenylamine

There total 3 articles about 4-{[(4-Chlorophenyl)sulfanyl]methyl}phenylamine 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:

p-Chlorothiophenol (106-54-7) → (4-Chlor-phenyl)-(4-amino-benzyl)-sulfid (6969-14-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium ethylate; ethanol

With ethanol; sodium ethanolate;

DOI:10.1002/jsfa.2740090209

Reference yield:

1-chloro-4-(4-nitrophenylmethylthio)benzene (88275-95-0) → (4-Chlor-phenyl)-(4-amino-benzyl)-sulfid (6969-14-8)

Guidance literature:

DOI:10.1002/jsfa.2740090209

Reference yield:

→ (4-Chlor-phenyl)-(4-amino-benzyl)-sulfid (6969-14-8)

Guidance literature:

aequimol. Mengen 4-Chlor-thiophenol und Formaldehyd in wss. A., Anilin in konz. wss. HCl (1 mol), Erwaermen;

DOI:10.1021/jo01045a065

upstream raw materials:

1-chloro-4-(4-nitrophenylmethylthio)benzene

p-Chlorothiophenol

Downstream raw materials:

4-[(4-chloro-phenylsulfanyl)-methyl]-phenyl isothiocyanate

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