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


Purity: >99.5%(GC)
  • Methyl Cyanide
  • ACN
1   3   ≥20 
5   17   ≥20 

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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


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
Pictogram Pictogram Pictogram Pictogram Pictogram
Signal Word Danger
Hazard Statements H311 : Toxic in contact with skin.
H332 : Harmful 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 vapor.
Precautionary Statements P501 : Dispose of contents/ container to an approved waste disposal plant.
P260 : Do not breathe dust/ fume/ gas/ mist/ vapors/ spray.
P270 : Do not eat, drink or smoke when using this product.
P202 : Do not handle until all safety precautions have been read and understood.
P240 : Ground/bond container and receiving equipment.
P210 : Keep away from heat/sparks/open flames/hot surfaces. No smoking.
P233 : Keep container tightly closed.
P201 : Obtain special instructions before use.
P243 : Take precautionary measures against static discharge.
P241 : Use explosion-proof electrical/ ventilating/ lighting/ equipment.
P242 : Use only non-sparking tools.
P271 : Use only outdoors or in a well-ventilated area.
P264 : Wash skin thoroughly after handling.
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.
P307 + P311 : IF exposed: Call a POISON CENTER or doctor/ physician.
P337 + P313 : If eye irritation persists: Get medical advice/ attention.
P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower.
P362 : Take off contaminated clothing and wash before reuse.
P304 + P340 + P312 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor if you feel unwell.
P403 + P235 : Store in a well-ventilated place. Keep cool.
P405 : Store locked up.
Related Laws: / Compliance with laws, Regulations
RTECS# AL7700000
Transport Information:
UN Number (DOT-AIR) UN1648
Class (DOT-AIR) 3
Packing Group (TCI-A) II
HS Number 2926.90.5050
A Novel Cyanation Reaction of Arenes Using Acetonitrile as a Cyano Source


[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).


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