3751-46-0

Basic information

• Product Name: 3-[(1-phenyl-1H-tetrazol-5-yl)thio]propiononitrile
• Synonyms: 3-[(1-phenyl-1H-tetrazol-5-yl)thio]propiononitrile;Einecs 223-153-7;Propanenitrile, 3-((1-phenyl-1H-tetrazol-5-yl)thio)-
• CAS NO: 3751-46-0
• Molecular Formula: C₁₀H₉N₅S
• Molecular Weight: 231.27696
• EINECS: 223-153-7
• Mol File: 3751-46-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 469.8°C at 760 mmHg
• Flash Point: 237.9°C
• Appearance: /
• Density: 1.33g/cm³
• Vapor Pressure: 5.36E-09mmHg at 25°C
• Refractive Index: 1.694
• CAS DataBase Reference: 3-[(1-phenyl-1H-tetrazol-5-yl)thio]propiononitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-[(1-phenyl-1H-tetrazol-5-yl)thio]propiononitrile(3751-46-0)
• EPA Substance Registry System: 3-[(1-phenyl-1H-tetrazol-5-yl)thio]propiononitrile(3751-46-0)

Safety Data

• Hazardous Substances Data: 3751-46-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H9N5S/c11-7-4-8-16-10-12-13-14-15(10)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2

Upstream product

• 542-76-7 3-Chloropropionitrile 
• 86-93-1 1-phenyl-1H-tetrazole-5-thiol 

Downstream Products

• 1455-90-9 3-((1-phenyl-1H-tetrazol-5-yl)sulfonyl)propanenitrile 

Relevant articles and documents

Tetrazoles. XXXI. Phase-Transfer Reactions of 1-Substituted Tetrazole-5-thiones and Their Derivatives

Alkylation of 1-substituted tetrazole-5-thiones under conditions of phase-transfer catalysis in the two-phase system liquid-liquid proceeds regioselectively at the sulfur atom, regardless of the alkylating agent and phase-transfer catalyst. Phase-transfer oxidation of the 5-alkylthiotetrazoles thus obtained by potassium permanganate is a convenient method for preparation of 5-alkylsulfonyltetrazoles which can be used to synthesize functionally substituted tetrazoles.