CAS No.325141-71-7,(2-CYANOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	325141-71-7
Name:	(2-CYANOMETHYLPHENYL)BORONIC ACID, PINACOL ESTER
Article Data:	3

Formula:	C₁₄H₁₈BNO₂
Molecular Weight:	243.113
Synonyms:	2-(Cyanomethyl)benzeneboronic acid, pinacol ester 97%;
Density:	1.05 g/cm³
Boiling Point:	379.1 °C at 760 mmHg
Flash Point:	183.1 °C
Solubility:	Miscible with water.
Hazard Symbols:	Xi
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
PSA:	42.25000
LogP:	2.05188

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Specification

The Benzeneacetonitrile,2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, with the CAS registry number 325141-71-7, is also known as 2-(Cyanomethyl)benzeneboronic acid, pinacol ester 97%. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C₁₄H₁₈BNO₂ and molecular weight is 243.11. Its systematic name is called [2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile.

Physical properties of Benzeneacetonitrile,2-(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: 2; (4)Index of Refraction: 1.505; (5)Molar Refractivity: 68.65 cm³; (6)Molar Volume: 231.2 cm³; (7)Surface Tension: 36.8 dyne/cm; (8)Density: 1.05 g/cm³; (9)Flash Point: 183.1 °C; (10)Enthalpy of Vaporization: 62.71 kJ/mol; (11)Boiling Point: 379.1 °C at 760 mmHg; (12)Vapour Pressure: 5.99E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCc2ccccc2B1OC(C)(C)C(O1)(C)C
(2)InChI: InChI=1/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)12-8-6-5-7-11(12)9-10-16/h5-8H,9H2,1-4H3
(3)InChIKey: FIARMBRSPSECPP-UHFFFAOYAS