-
Name
2-(E-CYANOVINYL)BENZENEBORONIC ACID
- EINECS
- CAS No. 850568-63-7
- Density 1.2 g/cm3
- Solubility
- Melting Point
- Formula C9H8BNO2
- Boiling Point 416.4 °C at 760 mmHg
- Molecular Weight 172.98
- Flash Point 205.6 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
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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;
- PSA 64.25000
- LogP -0.09682
Boronic acid,B-[2-[(1E)-2-cyanoethenyl]phenyl]- Specification
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
Related Products
- Boronic acid, (3-amino-5-cyanophenyl)-, monohydrochloride(9CI)
- Boronic acid, (3-amino-5-nitrophenyl)-, monohydrochloride(9CI)
- Boronic acid, (4-bromo-2-nitrophenyl)-
- Boronic acid, (5-methoxy-2-thienyl)-
- Boronic acid, (9,9-diphenyl-9H-fluoren-2-yl)-
- Boronic acid, [4-(nonyloxy)phenyl]-(9CI)
- Boronic acid, [4-[5-[4-(dimethylamino)phenyl]-2-oxazolyl]phenyl]-(9CI)
- Boronic acid, B-(2,6-diethoxy-3-pyridinyl)-
- Boronic acid, B-(2,6-difluoro-3-pyridinyl)-, hydrate (1:1)
- Boronic acid, B-(2,6-difluoro-4-methoxyphenyl)-
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