2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile

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Names

[ CAS No. ]:
138500-86-4

[ Name ]:
2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile

[Synonym ]:
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
Benzeneacetonitrile, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile
4-(Cyanomethyl)phenylboronic acid pinacol ester
MFCD02179459
[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
369.3±25.0 °C at 760 mmHg

[ Melting Point ]:
68-72°C

[ Molecular Formula ]:
C14H18BNO2

[ Molecular Weight ]:
243.109

[ Flash Point ]:
177.2±23.2 °C

[ Exact Mass ]:
243.143066

[ PSA ]:
42.25000

[ LogP ]:
2.05188

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.506

MSDS

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Safety Information

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R20/22;R36/37/38

[ Safety Phrases ]:
S26-S36/37/39

[ RIDADR ]:
3439

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2934999090

Synthetic Route

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Precursor & DownStream

Precursor

  • 4-iodophenylacetonitrile
  • Pinacolborane
  • 4-Hydroxyphenylacetonitrile
  • Sodium cyanide
  • 2-(4-(Bromomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
  • Pinacol
  • 4-(Bromomethyl)phenylboronic acid

DownStream

  • [4-(Cyanomethyl)phenyl]boronic acid
  • 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanamine

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%