Products Categories
CAS No.: | 214360-47-1 |
---|---|
Name: | 2-Cyanophenylboronic acid neopentyl ester |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C12H14BNO2 |
Molecular Weight: | 215.06 |
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; |
Density: | 1.08g/cm3 |
Boiling Point: | 368.1 °C at 760 mmHg |
Flash Point: | 176.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37 |
PSA: | 42.25000 |
LogP: | 1.32648 |
What can I do for you?
Get Best Price
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: 1.3×10-5 mmHg 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