- (3-Bromomethylphenyl)boronic acid neopentyl glycol ester
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Cas Database |
| Name |
(3-Bromomethylphenyl)boronic acid neopentyl glycol ester |
EINECS | N/A |
| CAS No. | 143805-78-1 | Density | 1.299 g/cm3 |
| PSA | 49.69000 | LogP | 1.30410 |
| Solubility | N/A | Melting Point |
86-90 |
| Formula | C12H16BBrO2 | Boiling Point | 369.026 °C at 760 mmHg |
| Molecular Weight | 282.973 | Flash Point | 176.981 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes |
 Xi:Irritant/Keep Cold; | |
| Molecular Structure |
|
Hazard Symbols |
 Xi
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| Synonyms |
p-Bromomethylphenylboronicacid neopentyl ester; |
Article Data | 3 |
(3-Bromomethylphenyl)boronic acid neopentyl glycol ester Specification
This chemical is called 2-[3-(Bromomethyl)phenyl]-5,5-dimethyl-1,3,2-dioxaborinane, and its CAS registry number is 282.97. With the molecular formula of C12H16BBrO2, its molecular weight is 282.97.
Other characteristics of the 2-[3-(Bromomethyl)phenyl]-5,5-dimethyl-1,3,2-dioxaborinane can be summarised as followings: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 18.46 Å2; (5)Index of Refraction: 1.528; (6)Molar Refractivity: 67.17 cm3; (7)Molar Volume: 217.8 cm3; (8)Polarizability: 26.62×10-24cm3; (9)Surface Tension: 36.8 dyne/cm; (10)Density: 1.29 g/cm3; (11)Flash Point: 177 °C; (12)Enthalpy of Vaporization: 59.16 kJ/mol; (13)Boiling Point: 369 °C at 760 mmHg; (14)Vapour Pressure: 2.59E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: BrCc2cccc(B1OCC(C)(C)CO1)c2
2.InChI: InChI=1/C12H16BBrO2/c1-12(2)8-15-13(16-9-12)11-5-3-4-10(6-11)7-14/h3-6H,7-9H2,1-2H3
3.InChIKey: YMHOSDXBNPFLLT-UHFFFAOYAR
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