Basic Information | Post buying leads | Suppliers |
Name |
Boronic acid,B-[2-[(1E)-2-cyanoethenyl]phenyl]- |
EINECS | N/A |
CAS No. | 850568-63-7 | Density | 1.2 g/cm3 |
PSA | 64.25000 | LogP | -0.09682 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H8BNO2 | Boiling Point | 416.4 °C at 760 mmHg |
Molecular Weight | 172.98 | Flash Point | 205.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Boronicacid, [2-[(1E)-2-cyanoethenyl]phenyl]- (9CI);2-(E-Cyanovinyl)benzeneboronic acid;3-(2-Boronophenyl)acrylonitrile;2-(E)-2-Cyanovinylbenzeneboronic acid; |
The systematic name of Boronic acid,B-[2-[(1E)-2-cyanoethenyl]phenyl]- is [2-[(Z)-2-cyanovinyl]phenyl]boronic acid. With the CAS registry number 850568-63-7, it is also named as 3-(2-Boronophenyl)acrylonitrile. The product's categories are Blocks; Boronic Acids; Carboxes. It should be stored in cold place. In addition, its molecular formula is C9H8BNO2 and its molecular weight is 172.98.
The other characteristics of Boronic acid,B-[2-[(1E)-2-cyanoethenyl]phenyl]- can be summarized as: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 1.64; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 64.25 Å2; (9)Index of Refraction: 1.57; (10)Molar Refractivity: 47.02 cm3; (11)Molar Volume: 143.3 cm3; (12)Polarizability: 18.64×10-24cm3; (13)Surface Tension: 53.2 dyne/cm; (14)Density: 1.2 g/cm3; (15)Flash Point: 205.6 °C; (16)Enthalpy of Vaporization: 70.6 kJ/mol; (17)Boiling Point: 416.4 °C at 760 mmHg; (18)Vapour Pressure: 1.11E-07 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: B(c1ccccc1C=CC#N)(O)O
(2)InChI: InChI=1/C9H8BNO2/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-6,12-13H/b5-3-
(3)InChIKey: IBOPZLYQFBLSRH-HYXAFXHYBI
(4)Std. InChI: InChI=1S/C9H8BNO2/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-6,12-13H/b5-3-
(5)Std. InChIKey: IBOPZLYQFBLSRH-HYXAFXHYSA-N