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Benzyl Thiocyanate
(CAS RN:3012-37-1 Product Number:T0198)

Structure

Benzyl Thiocyanate
Synonym Thiocyanic Acid Benzyl Ester

General Information

Product Number T0198

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Purity/Analysis Method >99.0%(GC)
Storage Temperature
M.F. / M.W. C8H7NS=149.21
CAS RN 3012-37-1
Related CAS RN
MDL Number MFCD00001832
Packaging and Container
  • Product Details
  • Safety & Regulations

Specification

Purity(GC) min. 99.0 %
Melting point 40.0 to 43.0 deg-C
Solubility in Methanol almost transparency

Data of Reference

bp 256°C(lit.)

References

Beilstein 6,460
Reaxys-RN 1859726
PubChem SID 87576189
RTECS# XK8155000
EC Number 221-144-2

GHS

Pictogram
Signal Word Danger
Hazard Statements
  • H302+H332
  • :Harmful by inhalation and if swallowed.
  • H314
  • :Causes severe skin burns and eye damage.
Precautionary Statements
  • P260
  • :Do not breathe dusts or mists.
  • P280
  • :Wear protective gloves, protective clothing, face protection.
  • P301+P330+P331+P310
  • :IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. Immediately call a POISON CENTER or doctor.
  • P303+P361+P353+P310+P363
  • :IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower. Immediately call a POISON CENTER or doctor. Wash contaminated clothing before reuse.
  • P304+P340+P310
  • :IF INHALED: Remove person to fresh air and keep comfortable for breathing. Immediately call a POISON CENTER or doctor.
  • P305+P351+P338+P310
  • :IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER or doctor.

Transport Information

UN Number 1759
Class 8
Packing Group II
HS Number 2930909899

Application

Cyanation of Bronic Acids through Cross-Coupling Reaction

Typical Procedure:
Benzyl thiocyanate, the boronic acid (1.5 eq.), CuTC, and Pd(PPh3)4 (3 mol%) are added into a flask that is then flushed with argon. Dry and degassed 1,4-dioxane is added (2 mL for each 0.1 mmol benzyl thiocyanate). The brown suspension is stirred under argon at 100 ℃ for 12 h. Then Et2O (10 mL) is added and the reaction is washed with sat. NH4Cl followed by sat. Na2CO3 and then brine. After evaporation of the solvent, the residue is purified by preparative plate silica chromatography (hexane : AcOEt = 4 : 1) to give the desired nitrile compound.

References

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