2179-79-5

Basic information

• Product Name: PHENYLSELENOCYANATE
• Synonyms: PHENYLSELENOCYANATE;PHENYLSELENOCYANAT;Phenylselenocyanate, tech., 90%;(Cyanoseleno)benzene;(Phenylseleno) cyanide;Phenylseleno cyanide;Selenocyanic acid phenyl ester;Phenylselenocyanate,90%,tech.
• CAS NO: 2179-79-5
• Molecular Formula: C₇H₅NSe
• Molecular Weight: 182.08
• EINECS: -0
• Product Categories: Building Blocks;Organic Building Blocks;Selenium Compounds;Selenium Compounds;Building Blocks;Chemical Synthesis;Organic Building Blocks
• Mol File: 2179-79-5.mol
• Article Data: 17

Chemical Properties

• Boiling Point: 116-117 °C12 mm Hg(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.484 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0304mmHg at 25°C
• Refractive Index: n20/D 1.603(lit.)
• Storage Temp.: 2-8°C
• Solubility: Miscible with organic solvents, terahydro furan, dichloromethane
• BRN: 1617370
• CAS DataBase Reference: PHENYLSELENOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: PHENYLSELENOCYANATE(2179-79-5)
• EPA Substance Registry System: PHENYLSELENOCYANATE(2179-79-5)

Safety Data

• Hazard Codes: T,N
• Statements: 23/25-33-50/53
• Safety Statements: 20/21-28-45-60-61
• RIDADR: UN 3440 6.1/PG 2
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: II
• Hazardous Substances Data: 2179-79-5(Hazardous Substances Data)

Usage

Description

Phenyl selenocyanate, also known as a selenenylation agent, is a clear orange liquid derived from the reaction between benzeneselenenyl chloride and trimethylsilyl cyanide. It is a versatile compound in synthetic chemistry, providing a specific source of nucleophilic and electrophilic selenium species.

Uses

Used in Synthetic Chemistry:
Phenyl selenocyanate is used as a selenenylation agent for [application reason] in synthetic chemistry. It is particularly valuable for its ability to provide a specific source of nucleophilic and electrophilic selenium species, which are essential in various chemical reactions and processes.
Used in Pharmaceutical Industry:
Phenyl selenocyanate is used as a key intermediate in the synthesis of various pharmaceutical compounds for [application reason]. Its unique chemical properties allow for the development of novel drugs with potential therapeutic applications.
Used in Chemical Research:
Phenyl selenocyanate is used as a research tool for [application reason] in chemical research. Its ability to provide nucleophilic and electrophilic selenium species makes it an important compound for studying reaction mechanisms and developing new synthetic methodologies.

InChI:InChI=1/C7H5NSe/c8-6-9-7-4-2-1-3-5-7/h1-5H

Upstream product

• 123-75-1 pyrrolidine 
• 7677-24-9 trimethylsilyl cyanide 
• 110-91-8 morpholine 
• 100-34-5 benzene diazonium chloride 
• 507233-69-4 triphenyl bismuth ⁽²⁺⁾; dichloride 
• 51950-93-7 copper selenocyanate 
• 2179-96-6 triselenium dicyanide 
• 603-33-8 triphenylbismuthane 
• 591-50-4 iodobenzene 
• 98-80-6 phenylboronic acid 
• 1666-13-3 diphenyl diselenide 
• 3425-46-5 potassium selenocyanate 
• 62-53-3 aniline 
• 1147550-11-5 ammonium thiocyanate 

Downstream Products

• 73090-34-3 threo-3-(phenylseleno)-2-butanol 
• 71338-47-1 2-phenylselenoacetaldehyde diethylacetal 
• 67902-40-3 (+/-)-N-Carbethoxy-2-<(phenylseleno)methyl>pyrrolidine 
• 92988-92-6 2,4-dinitrophenyl selenocyanate 
• 18255-07-7 1-methoxy-4-<(phenylseleno)methyl>benzene 
• 78808-30-7 methyl 4-((phenylselanyl)methyl)benzoate 
• 78808-32-9 1-Methyl-4-phenylselanylmethyl-naphthalene 
• 260445-03-2 (+/-)-trans-4-phenylseleno-2-butenol 
• 260445-16-7 (+/-)-trans-4-phenylseleno[4,4-2H₂]-2-butenol 
• 260445-01-0 (+/-)-trans-1-diphenylvinylsilyloxy-4-phenylseleno-2-butene 
• 260445-17-8 (+/-)-trans-1-diphenylvinylsilyloxy-4-phenylseleno[4,4-2H₂]-2-butene 
• 94202-83-2 ethyl (R)-2-(phenylselenyl)propionate 
• 7677-24-9 trimethylsilyl cyanide 
• 5173-02-4 phenyl trifluoromethylselenide 

Relevant articles and documents

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Metal-Free Synthesis of Aryl Selenocyanates and Selenaheterocycles with Elemental Selenium

This work reports a green method for the synthesis of aryl selenocyanates via a three-component reaction of arylboronic acids, Se powder, and trimethylsilyl cyanide (TMSCN) under metal-free and additive-free conditions. Remarkably, TMSCN acts as not only the substrate, but also the catalyst. Various selenaheterocycles can be also accessed with a catalytic amount of TMSCN.

Synthesis method of aryl selenocyanate compounds

The invention relates to the field of synthesis of chemical products, in particular to a synthesis method of aryl selenocyanate compounds. The method starts from arylboronic acid which is easy to obtain, KSeCN which is the cheapest is used as a selenocyanate source, environment-friendly pollution-free current is adopted as a reaction driver, and under conditions of air and a room temperature, arylselenocyanates are efficiently synthesized. Compared with a conventional aryl selenocyanate synthesis method, the method has the obvious advantages that reaction raw materials (including the arylboronic acid) are cheap and easy to obtain, the current causes the lowest pollution to the environment, multiple kinds of functional groups of aromatic rings have good tolerance, yields are high, and thelike. The method can be applied to synthesis of a wide variety of fields of medicines, materials, natural products and the like of the industrial circles and the academic circles.