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CAS RN: 75-05-8 | Product Number: A0060

Acetonitrile


Purity: >99.5%(GC)
Synonyms:
  • Methyl Cyanide
  • ACN
Documents:
25ML
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Product Number A0060
Purity / Analysis Method >99.5%(GC)
Molecular Formula / Molecular Weight C__2H__3N = 41.05  
Physical State (20 deg.C) Liquid
Store Under Inert Gas Store under inert gas
Condition to Avoid Hygroscopic
CAS RN 75-05-8
Reaxys Registry Number 741857
PubChem Substance ID 87561760
SDBS (AIST Spectral DB) 1218
Merck Index (14) 70
MDL Number

MFCD00001878

Specifications
Appearance Colorless clear liquid
Purity(GC) min. 99.5 %
Properties (reference)
Melting Point -46 °C
Boiling Point 82 °C
Flash point 10 °C
Specific Gravity (20/20) 0.78
Refractive Index 1.34
Solubility in water Completely miscible
Solubility (miscible with) Alcohol,Ether
GHS
Pictogram Pictogram Pictogram Pictogram
Signal Word Danger
Hazard Statements H311 : Toxic in contact with skin.
H302 + H332 : Harmful if swallowed or if inhaled.
H319 : Causes serious eye irritation.
H370 : Causes damage to organs.
H373 : May cause damage to organs through prolonged or repeated exposure.
H341 : Suspected of causing genetic defects.
H225 : Highly flammable liquid and vapour.
Precautionary Statements P260 : Do not breathe dust/ fume/ gas/ mist/ vapours/ spray.
P210 : Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
P201 : Obtain special instructions before use.
P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.
P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish.
P308 + P311 : IF exposed or concerned: Call a POISON CENTER/doctor.
Related Laws:
EC Number 200-835-2
RTECS# AL7700000
Transport Information:
UN Number UN1648
Class 3
Packing Group II
HS Number 2926907090
Application
A Novel Cyanation Reaction of Arenes Using Acetonitrile as a Cyano Source

A0060

[Experimental Procedure]
Cyanation of Cumene (R=i-Pr) : An oven-dried Schlenk tube equipped with a magnetic stir bar is evacuated and backfilled with O2 three times. Cumene (0.5 mmol), N-iodosuccinimide (NIS) (1.05 eq., 0.525 mmol), Cu(ClO4)2·6H2O (20 mol%, 0.1 mmol), acetonitrile (1.2 mL) are added into the tube and the reaction is stirred at 150°C for 1 hour. The reaction mixture is allowed to cool down. Under O2, 1,10-phenanthroline (20 mol%, 0.1 mmol), TEMPO free radical (2 eq., 1 mmol), hexamethyldisilane (1 eq., 0.5 mmol) are added into the reaction mixture. The reaction is then heated up to 150°C for 2.5 days under O2. After completion, the insoluble is removed by filtration. The filtrate is concentrated under vacuo and the residue is purified by column chromatography on silica gel using EtOAc / petroleum ether to give the corresponding p- or o-cyanated cumenes as a yellow liquid (65 mg, 90% yield, p:o = 6:1).

References


PubMed Literature


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