CAS No.171364-82-2,4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	171364-82-2
Name:	4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE
Article Data:	102

Formula:	C₁₃H₁₆BNO₂
Molecular Weight:	229.087
Synonyms:	2-(4-Cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-Tetramethyl-2-(4-cyanophenyl)-1,3,2-dioxaborolane;4-(4,4,5,5-Tetramethyl[1,3,2]dioxaborolan-2-yl)benzonitrile;
Density:	1.066 g/cm³
Melting Point:	95-99 °C(lit.)
Boiling Point:	345.782 °C at 760 mmHg
Flash Point:	162.923 °C
Appearance:	light yellow to orange or light tan crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38-20/21/22
Safety:	26-36/37/39
PSA:	42.25000
LogP:	1.85748

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Specification

The Benzonitrile,4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- with the CAS number 171364-82-2 is also called 2-(4-Cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane. Both the systematic name and IUPAC name are 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile. Its molecular formula is C₁₃H₁₆BNO₂.

The properties of the Benzonitrile,4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- are: (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)Enthalpy of Vaporization: 58.99 kJ/mol; (11)Vapour Pressure: 6.02×10^-5 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2ccc(B1OC(C)(C)C(O1)(C)C)cc2
(2)InChI: InChI=1/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8H,1-4H3
(3)InChIKey: HOPDTPGXBZCBNP-UHFFFAOYAM