2-Cyanophenylboronic acid neopentyl ester supplier

Name
2-Cyanophenylboronic acid neopentyl ester
EINECS
CAS No. 214360-47-1
Article Data3
CAS DataBase
Density 1.08g/cm³
Solubility
Melting Point
Formula C₁₂H₁₄BNO₂
Boiling Point 368.1 °C at 760 mmHg
Molecular Weight 215.06
Flash Point 176.4 °C
Transport Information
Appearance
Safety 26-37
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms (2-Cyanophenyl)boronicacid 2,2-dimethylpropane-1,3-diol cyclic ester;2-(2-Cyanophenyl)-5,5-dimethyl-1,3,2-dioxaborinane;2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile;
PSA 42.25000
LogP 1.32648

2-Cyanophenylboronic acid neopentyl ester Specification

The 2-Cyanophenylboronic acid neopentyl ester with the CAS number 214360-47-1 is also called Benzonitrile,2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-. The systematic name is 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile. Its molecular formula is C₁₂H₁₄BNO₂. The product category is Heterocyclic Compounds.

The properties of the 2-Cyanophenylboronic acid neopentyl ester 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: 1.511; (6)Molar Refractivity: 59.38 cm³; (7)Molar Volume: 198.1 cm³; (8)Polarizability: 23.54×10^-24cm³; (9)Surface Tension: 38.3 dyne/cm; (10)Enthalpy of Vaporization: 61.47 kJ/mol; (11)Vapour Pressure: 1.3×10^-5mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2c(B1OCC(C)(C)CO1)cccc2
(2)InChI: InChI=1/C12H14BNO2/c1-12(2)8-15-13(16-9-12)11-6-4-3-5-10(11)7-14/h3-6H,8-9H2,1-2H3
(3)InChIKey: QHAYLPAKZXKQSE-UHFFFAOYAK

Product Name

2-Cyanophenylboronic acid neopentyl ester

2-Cyanophenylboronic acid neopentyl ester Specification

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