4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE

Synonym(s):4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

CAS NO.：171364-82-2
Empirical Formula: C13H16BNO2
Molecular Weight: 229.08
MDL number: MFCD03093897
SAFETY DATA SHEET (SDS)
Update Date: 2025-12-25 11:31:46

4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE Structural

What is 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE?

Chemical properties

light yellow to orange or light tan crystalline powde

The Uses of 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE

4-(Cyanophenyl)boronic Acid Pinacol Ester is used to prepare arylparacyclophanes via Suzuki aryl cross-coupling of bromoparacyclophane with arylboronic acid and arylboronates. It’s also used to prepare tyrosine-modified analogs of α4β7 integrin inhibitor biotin-R8ERY.

Synthesis Reference(s)

The Journal of Organic Chemistry, 60, p. 7508, 1995 DOI: 10.1021/jo00128a024

Properties of 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE

Melting point:	95-99 °C(lit.)
Boiling point:	345.8±25.0 °C(Predicted)
Density	1.06±0.1 g/cm3(Predicted)
storage temp.	Keep in dark place,Sealed in dry,Room Temperature
solubility	Chloroform (Slightly), Methanol (Slightly)
form	Crystalline Powder
color	Light yellow to orange or light tan
CAS DataBase Reference	171364-82-2(CAS DataBase Reference)

Safety information for 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE

Signal word	Warning
Pictogram(s)	Skull and Crossbones Acute Toxicity GHS06 Exclamation Mark Irritant GHS07
GHS Hazard Statements	H301:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up.