Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Cyanophenylboronic acid neopentyl ester |
EINECS | N/A |
CAS No. | 214360-47-1 | Density | 1.08g/cm3 |
PSA | 42.25000 | LogP | 1.32648 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H14BNO2 | Boiling Point | 368.1 °C at 760 mmHg |
Molecular Weight | 215.06 | Flash Point | 176.4 °C |
Transport Information | N/A | Appearance | N/A |
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; |
Article Data | 3 |
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