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| CAS No.: | 214360-74-4 |
|---|---|
| Name: | (3-Bromomethylphenyl)boronic acid pinacol ester |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C13H18BBrO2 |
| Molecular Weight: | 297 |
| Synonyms: | 2-(3-(Bromomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; |
| Density: | 1.266 g/cm3 |
| Boiling Point: | 360.928 °C at 760 mmHg |
| Flash Point: | 172.084 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| Safety: | 26-37 |
| PSA: | 18.46000 |
| LogP: | 2.88070 |
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Specification
The 1,3,2-Dioxaborolane,2-[3-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-, with CAS registry number 214360-74-4, has the systematic name of 2-[3-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane. And the chemical formula of this chemical is C13H18BBrO2.
Physical properties of 1,3,2-Dioxaborolane,2-[3-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-: (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: 1.524; (6)Molar Refractivity: 71.8 cm3; (7)Molar Volume: 234.5 cm3; (8)Polarizability: 28.46×10-24cm3; (9)Surface Tension: 35.6 dyne/cm; (10)Density: 1.26 g/cm3; (11)Flash Point: 172.1 °C; (12)Enthalpy of Vaporization: 58.28 kJ/mol; (13)Boiling Point: 360.9 °C at 760 mmHg; (14)Vapour Pressure: 4.46E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCc2cccc(B1OC(C)(C)C(O1)(C)C)c2
(2)InChI: InChI=1/C13H18BBrO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8H,9H2,1-4H3
(3)InChIKey: WUIYGXGXVOHAFW-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C13H18BBrO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8H,9H2,1-4H3
(5)Std. InChIKey: WUIYGXGXVOHAFW-UHFFFAOYSA-N