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Cas Database |
| Name |
3,4-Dimethoxyphenylboronic acid pinacol ester |
EINECS | N/A |
| CAS No. | 365564-10-9 | Density | 1.059 g/cm3 |
| PSA | 36.92000 | LogP | 2.00300 |
| Solubility | N/A | Melting Point |
86-87 °C |
| Formula | C14H21BO4 | Boiling Point | 352.5 °C at 760 mmHg |
| Molecular Weight | 264.129 | Flash Point | 167 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 36/37/39-26 | Risk Codes | 20/21/22-36/37/38-36 |
| Molecular Structure |
|
Hazard Symbols | Xn,Xi |
| Synonyms |
1,2-Dimethoxy-4-(pinacolboryl)benzene;2-(3,4-Dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;MolPort-000-154-628;BM303;S01-0084; |
Article Data | 23 |
3,4-Dimethoxyphenylboronic acid pinacol ester Specification
The 1,3,2-Dioxaborolane,2-(3,4-dimethoxyphenyl)-4,4,5,5-tetramethyl- with CAS registry number of 365564-10-9 is also known as 3,4-Dimethoxyphenylboronic acid pinacol ester. The IUPAC name is 2-(3,4-Dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane. In addition, the formula is C14H21BO4 and the molecular weight is 264.13.
Physical properties about 1,3,2-Dioxaborolane,2-(3,4-dimethoxyphenyl)-4,4,5,5-tetramethyl- are: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 36.92Å2; (5)Index of Refraction: 1.49; (6)Molar Refractivity: 72.18 cm3; (7)Molar Volume: 249.3 cm3; (8)Polarizability: 28.61×10-24cm3; (9)Surface Tension: 33.3 dyne/cm; (10)Density: 1.05 g/cm3; (11)Flash Point: 167 °C; (12)Enthalpy of Vaporization: 57.38 kJ/mol; (13)Boiling Point: 352.5 °C at 760 mmHg; (14)Vapour Pressure: 7.76E-05 mmHg at 25 °C
You can still convert the following datas into molecular structure:
1. SMILES: CC1(C)OB(OC1(C)C)c2ccc(OC)c(OC)c2
2. InChI: InChI=1/C14H21BO4/c1-13(2)14(3,4)19-15(18-13)10-7-8-11(16-5)12(9-10)17-6/h7-9H,1-6H3
3. InChIKey: QPWUFMRNTUHMJD-UHFFFAOYAD
4. Std. InChI: InChI=1S/C14H21BO4/c1-13(2)14(3,4)19-15(18-13)10-7-8-11(16-5)12(9-10)17-6/h7-9H,1-6H3
5. Std. InChIKey: QPWUFMRNTUHMJD-UHFFFAOYSA-N
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