Benzonitrile,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- supplier

Name
3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE
EINECS
CAS No. 214360-46-0
Article Data32
CAS DataBase
Density 1.06g/cm³
Solubility
Melting Point 78-82 °C(lit.)
Formula C₁₃H₁₆BNO₂
Boiling Point 341 °C at 760 mmHg
Molecular Weight 229.087
Flash Point 160 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms (3-Cyanophenyl)boronicacid pinacol ester;3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile;
PSA 42.25000
LogP 1.85748

Benzonitrile,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- Specification

The Benzonitrile,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, with CAS registry number 214360-46-0, has the systematic name of 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile. And the chemical formula of this chemical is C₁₃H₁₆BNO₂. Its molecular weight is 229.08.

Physical properties of Benzonitrile,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 42.25 Å²; (5)Index of Refraction: 1.507; (6)Molar Refractivity: 64.02 cm³; (7)Molar Volume: 214.9 cm³; (8)Polarizability: 25.38×10^-24cm³; (9)Surface Tension: 36.8 dyne/cm; (10)Density: 1.06 g/cm³; (11)Flash Point: 160 °C; (12)Enthalpy of Vaporization: 58.46 kJ/mol; (13)Boiling Point: 341 °C at 760 mmHg; (14)Vapour Pressure: 8.28E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzonitrile,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2cccc(B1OC(C)(C)C(O1)(C)C)c2
(2)InChI: InChI=1/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8H,1-4H3
(3)InChIKey: FIGQEPXOSAFKTA-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8H,1-4H3
(5)Std. InChIKey: FIGQEPXOSAFKTA-UHFFFAOYSA-N

Product Name

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

Benzonitrile,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- Specification

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