3-(Phenylthio)-1,2-benzenedicarbonitrile

Base Information

• Chemical Name: 3-(Phenylthio)-1,2-benzenedicarbonitrile
• CAS No.: 51762-68-6
• Molecular Formula: C14H8N2S
• Molecular Weight: 236.297
• Hs Code.: 2930909090
• Mol file: 51762-68-6.mol

Synonyms:2,3-Dicyano diphenyl sulfide;3-(phenylsulfanyl)benzene-1,2-dicarbonitrile;1,2-benzenedicarbonitrile, 3-(phenylthio)-;3-(Phenylthio)phthalonitrile;3-phenylthiobenzene-1,2-dicarbonitrile;

Chemical Property of 3-(Phenylthio)-1,2-benzenedicarbonitrile

Chemical Property:

• Vapor Pressure: 2.34E-07mmHg at 25°C
• Melting Point: 115-118 °C(lit.)
• Refractive Index: 1.668
• Boiling Point: 422.8 °C at 760 mmHg
• Flash Point: 209.5 °C
• PSA: 72.88000
• Density: 1.28 g/cm³
• LogP: 3.58116
• Storage Temp.: 2-8°C

Purity/Quality:

99%, ^*data from raw suppliers

3-PHENYLSULFANYL-PHTHALONITRILE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(Phenylthio)-1,2-benzenedicarbonitrile

There total 4 articles about 3-(Phenylthio)-1,2-benzenedicarbonitrile 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: 100.0%

4-Nitrophthalonitrile (31643-49-9) + sodium thiophenolate (930-69-8) → 3-(phenylthio)-phthalonitrile (51762-68-6)

Guidance literature:

In N,N-dimethyl-formamide;

Reference yield: 85.0%

3-nitrobenzene-1,2-dicarbonitrile (51762-67-5) + sodium thiophenolate (930-69-8) → 3-(phenylthio)-phthalonitrile (51762-68-6)

Guidance literature:

In N,N-dimethyl-formamide;

Reference yield: 82.0%

3-nitrobenzene-1,2-dicarbonitrile (51762-67-5) + thiophenol (108-98-5) → 3-(phenylthio)-phthalonitrile (51762-68-6)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 20 ℃; for 0.25h;

DOI:10.1039/b607538j

upstream raw materials:

4-Nitrophthalonitrile

sodium thiophenolate

3-nitrobenzene-1,2-dicarbonitrile

thiophenol

Downstream raw materials:

tetra-3-(phenylthio)phthalocyanine

3-phenylsulfonylphthalonitrile

Refernces

• 1、 Tau, Prudence,Nyokong, Tebello. "Synthesis, electrochemical and photophysical properties of phthalocyaninato oxotitanium(iv) complexes tetra-substituted at the α and β positions with arylthio groups". . p. 4482 - 4490. Retrieved 2007/10/03.