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172732-52-4

Basic Information
CAS No.: 172732-52-4
Name: Benzonitrile,2-(1,3,2-dioxaborinan-2-yl)-
Molecular Structure:
Molecular Structure of 172732-52-4 (Benzonitrile,2-(1,3,2-dioxaborinan-2-yl)-)
Formula: C10H10BNO2
Molecular Weight: 187.0029
Synonyms: 2-(1,3,2-Dioxaborinan-2-yl)benzonitrile;2-(2-Cyanophenyl)-1,3,2-dioxaborinane;2-(1,3,2-dioxaborinan-2-yl)benzonitrile;Benzonitrile, 2-(1,3,2-dioxaborinan-2-yl)-;
EINECS:
Density: 1.13 g/cm3
Melting Point: 46-56 °C(lit.)
Boiling Point: 372.4 °C at 760 mmHg
Flash Point: 179 °C
Solubility:
Appearance:
Hazard Symbols: IrritantXi
Risk Codes: 20/21/22-36/37/38
Safety: 26-36/37/39
Transport Information: 3439
PSA: 42.25000
LogP: 0.69038
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Specification

The Benzonitrile,2-(1,3,2-dioxaborinan-2-yl)-, with the CAS registry number 172732-52-4, has the systematic name of 2-(1,3,2-dioxaborinan-2-yl)benzonitrile. It belongs to the product categories of Blocks and BoronicAcids. And the molecular formula of the chemical is C10H10BNO2.

The characteristics of Benzonitrile,2-(1,3,2-dioxaborinan-2-yl)- are as followings: (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: 1.519; (6)Molar Refractivity: 50.12 cm3; (7)Molar Volume: 165 cm3; (8)Polarizability: 19.86×10-24cm3; (9)Surface Tension: 40.6 dyne/cm; (10)Density: 1.13 g/cm3; (11)Flash Point: 179 °C; (12)Enthalpy of Vaporization: 61.96 kJ/mol; (13)Boiling Point: 372.4 °C at 760 mmHg; (14)Vapour Pressure: 9.63E-06 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#Cc1ccccc1B2OCCCO2
(2)InChI: InChI=1/C10H10BNO2/c12-8-9-4-1-2-5-10(9)11-13-6-3-7-14-11/h1-2,4-5H,3,6-7H2
(3)InChIKey: REQZFVYFYAZUMG-UHFFFAOYAH