Thiocyanic acid, 2-(phenylazo)phenyl ester

Base Information

• Chemical Name: Thiocyanic acid, 2-(phenylazo)phenyl ester
• CAS No.: 22030-83-7
• Molecular Formula: C₁₃H₉N₃S
• Molecular Weight: 239.301
• DSSTox Substance ID: DTXSID00406649
• Mol file: 22030-83-7.mol

Synonyms:2-thiocyanatoazobenzene;Thiocyanic acid, 2-(phenylazo)phenyl ester;22030-83-7;DTXSID00406649

Chemical Property of Thiocyanic acid, 2-(phenylazo)phenyl ester

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 239.05171847
• Heavy Atom Count: 17
• Complexity: 301

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N=NC2=CC=CC=C2SC#N

Technology Process of Thiocyanic acid, 2-(phenylazo)phenyl ester

There total 3 articles about Thiocyanic acid, 2-(phenylazo)phenyl ester 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: 42.0%

Pd(S2CN(CH3)2)(C6H4N2CH3) + thiocyanogen (505-14-6) → Pd2(4+)*2S2CN(CH3)2(1-)*2SCN(1-) = {Pd(S2CN(CH3)2)(SCN)}2 + 2-thiocyanatoazobenzene (22030-83-7)

Guidance literature:

In chloroform; stirring (16 h); filtration;

Reference yield:

2-phenylazo-benzenesulfenyl bromide (2849-62-9) → 2-(phenyl-trans-azo)-phenyl thiocyanate (22030-83-7)

Guidance literature:

With potassium cyanide;

DOI:10.1021/ja01601a078

Reference yield:

→ 2-thiocyanatoazobenzene (22030-83-7)

Guidance literature:

2-Thiobromazobenzol, KCN;

DOI:10.1007/BF00746127

upstream raw materials:

thiocyanogen

2-phenylazo-benzenesulfenyl bromide

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