5416-94-4

Basic information

• Product Name: HEPTYL THIOCYANATE
• Synonyms: HEPTYL THIOCYANATE;thiocyanicacid,heptylester
• CAS NO: 5416-94-4
• Molecular Formula: C₈H₁₅NS
• Molecular Weight: 157.28
• Mol File: 5416-94-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 235°C (rough estimate)
• Flash Point: 95.8°C
• Appearance: /
• Density: 0.9200
• Vapor Pressure: 0.0519mmHg at 25°C
• Refractive Index: 1.6270 (estimate)
• CAS DataBase Reference: HEPTYL THIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: HEPTYL THIOCYANATE(5416-94-4)
• EPA Substance Registry System: HEPTYL THIOCYANATE(5416-94-4)

Safety Data

• Hazardous Substances Data: 5416-94-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H15NS/c1-2-3-4-5-6-7-10-8-9/h2-7H2,1H3

Upstream product

• 629-04-9 1-Bromoheptane 
• 333-20-0 potassium thioacyanate 
• 556-64-9 methyl thiocyanate 
• 4282-40-0 1-Iodoheptane 
• 111-70-6 n-heptan1ol 
• 142-82-5 n-heptane 
• 629-06-1 1-Chloroheptane 

Downstream Products

• 1639-09-4 heptanethiol 
• 24768-44-3 1-ethylsulfanyl-heptane 
• 78961-04-3 thiocarbamic acid S-heptyl ester 
• 60586-80-3 heptane-1-sulfonic acid 
• 2307-13-3 n-Heptylthiolaurat 
• 10496-16-9 diheptyldisulfide 

Relevant articles and documents

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Thiocyanation of alkyl halides with alkyl thiocyanates in the presence of quaternary phosphonium halides

Alkyl thiocyanates undergo simple SN2 reactions with the counter ions of quaternary phosphonium salts in nonpolar solvents and thiocyanate ions are liberated as the leaving ion. Depending on the nucleophile, the reaction proceeded irreversibly or reversibly. The reaction of benzyl thiocyanate with azide ions afforded a quantitative yield of benzyl azide. The reactions of alkyl thiocyanates with halide ions gave an equilibrium mixture where the reverse reaction of the alkyl halides produced with the liberated thiocyanate ions took place simultaneously. Thus, thiocyanate-halide exchange reactions between an alkyl thiocyanate and an alkyl halide were possible in the presence of a catalytic amount of a quaternary salt.