51762-68-6

Basic information

• Product Name: 3-(PHENYLTHIO)-1,2-BENZENEDICARBONITRILE
• Synonyms: 3-(PHENYLTHIO)-1,2-BENZENEDICARBONITRILE;3-(PHENYLTHIO)PHTHALONITRILE;3-Phenylsulfanylphthalonitrile;2,3-dicyano diphenyl;2,3-dicyano diphenyl sulfide
• CAS NO: 51762-68-6
• Molecular Formula: C₁₄H₈N₂S
• Molecular Weight: 236.29
• Mol File: 51762-68-6.mol
• Article Data: 3

Chemical Properties

• Melting Point: 115-118 °C(lit.)
• Boiling Point: 422.8 °C at 760 mmHg
• Flash Point: 209.5 °C
• Appearance: /
• Density: 1.28 g/cm³
• Vapor Pressure: 2.34E-07mmHg at 25°C
• Refractive Index: 1.668
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3-(PHENYLTHIO)-1,2-BENZENEDICARBONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(PHENYLTHIO)-1,2-BENZENEDICARBONITRILE(51762-68-6)
• EPA Substance Registry System: 3-(PHENYLTHIO)-1,2-BENZENEDICARBONITRILE(51762-68-6)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 51762-68-6(Hazardous Substances Data)

Usage

General Description

3-(Phenylthio)-1,2-benzenedicarbonitrile is a chemical compound with the molecular formula C15H9NS and a molar mass of 239.31 g/mol. It is a yellow solid that is insoluble in water but soluble in organic solvents. 3-(Phenylthio)-1,2-benzenedicarbonitrile is used as an intermediate in the synthesis of various organic compounds, particularly in the pharmaceutical industry for the production of drugs. It has also been studied for its potential anti-cancer properties. Additionally, it has been used in some research applications as a building block for the synthesis of more complex molecules.

InChI:InChI=1/C14H8N2S/c15-9-11-5-4-8-14(13(11)10-16)17-12-6-2-1-3-7-12/h1-8H

Upstream product

• 51762-67-5 3-nitrobenzene-1,2-dicarbonitrile 
• 930-69-8 sodium thiophenolate 
• 108-98-5 thiophenol 
• 31643-49-9 4-Nitrophthalonitrile 

Downstream Products

• 117675-32-8 3-phenylsulfonylphthalonitrile 
• 77492-98-9 tetra-3-(phenylthio)phthalocyanine 

Relevant articles and documents

Breaching the wall: morphological control of efficacy of phthalocyanine-based photoantimicrobials

An efficient treatment of infections using antimicrobial photodynamic therapy (aPDT) anticipates that uptake of photosensitizer (PS) by bacterial cells is very fast and effective. In this work, the design, synthesis, characterization, and photodynamic activity of amphiphilic, water-soluble zinc(ii)phthalocyanine (Zn(ii)Pc) molecules bearing none, three or six thiophenyl moieties are described. We show that PSs that contain no or flexible substituents on non-peripheral positions can photoinactivate microbes at very low loading concentrations and low light doses. In contrast, a PS derivative that contains non-flexible substituents is rendered less effective, despite an increased generation of cytotoxic singlet oxygen, higher lipophilicity and a lower tendency to aggregate. Our unexpected finding emphasizes the role of the morphology of PSs in bacterial cell-molecule interactions and suggests another relevant and hitherto disregarded characteristic to improve PS design.

PHTHALOCYANINES AND RELATED COMPOUNDS. XVIII. PHENOXY- AND (PHENYLTHIO)-SUBSTITUTED PHTHALOCYANINES

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