Thiocyanic acid, diester with p,p'-iminodiphenol

Base Information

• Chemical Name: Thiocyanic acid, diester with p,p'-iminodiphenol
• CAS No.: 5339-39-9
• Molecular Formula: C14H9N3S2
• Molecular Weight: 283.378
• Hs Code.: 2930909090
• NSC Number: 3514
• UNII: 7AGE5581UO
• DSSTox Substance ID: DTXSID00201550
• Nikkaji Number: J48.845C
• Wikidata: Q83074753
• Mol file: 5339-39-9.mol

Synonyms:Thiocyanic acid, diester with p,p'-iminodiphenol;5339-39-9;4,4'-Di(thiocyano)diphenylamine;Diphenylamine, 4,4'-dithiocyano-;Thiocyanic acid, iminodi-4,1-phenylene ester;TL 377;p,p-Dithiocyanatodiphenylamine;p,p'-Dithiocyanatodiphenylamine;NSC 3514;BRN 3361936;AI3-18233;7AGE5581UO;NSC-3514;WLN: NCSR DMR DSCN;UNII-7AGE5581UO;Diphenylamine,4'-dithiocyano-;Thiocyanic acid,p'-iminodiphenol;DTXSID00201550;NSC3514;bis-(4-thiocyanato-phenyl)-amine;Thiocyanic acid,1-phenylene ester;LS-152662;[4-(4-Thiocyanatoanilino)phenyl]thiocyanate;Di(thiocyanic acid)4,4'-iminodiphenyl ester;THIOCYANIC ACID, C,C'-(IMINODI-4,1-PHENYLENE) ESTER

Chemical Property of Thiocyanic acid, diester with p,p'-iminodiphenol

Chemical Property:

• Vapor Pressure: 1.97E-09mmHg at 25°C
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 481.5°Cat760mmHg
• Flash Point: 245°C
• PSA: 110.21000
• Density: 1.37g/cm³
• LogP: 4.64956
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 283.02378965
• Heavy Atom Count: 19
• Complexity: 329

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC2=CC=C(C=C2)SC#N)SC#N

Technology Process of Thiocyanic acid, diester with p,p'-iminodiphenol

There total 9 articles about Thiocyanic acid, diester with p,p'-iminodiphenol 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: 87.0%

ammonium thiocyanate (1147550-11-5) + diphenylamine (122-39-4) → (4,4'-dithiocyanato)diphenylamine (5339-39-9)

Guidance literature:

With ammonium metavanadate; potassium hydrogensulfate; In water; at 150 ℃; regioselective reaction; Microwave irradiation; Green chemistry;

DOI:10.1080/17415993.2014.940350

Reference yield: 60.0%

diphenylamine (122-39-4) → 4-thiocyanato-N-phenylaniline (16078-85-6) + (4,4'-dithiocyanato)diphenylamine (5339-39-9)

Guidance literature:

With Oxone; In methanol; at 20 ℃; for 0.333333h; Overall yield = 85 %; regioselective reaction; Green chemistry;

DOI:10.1080/10426507.2013.865123

Reference yield: 60.0%

ammonium thiocyanate (1147550-11-5) + diphenylamine (122-39-4) → 4-thiocyanato-N-phenylaniline (16078-85-6) + (4,4'-dithiocyanato)diphenylamine (5339-39-9)

Guidance literature:

In methanol; at 20 ℃; for 1h; Electrolysis;

DOI:10.1016/j.tetlet.2013.02.106

upstream raw materials:

diphenylamine

lead(II) thiocyanate

ammonium thiocyanate