-
Name
3-(Phenoxymethyl)benzeneboronic acid, pinacol ester
- EINECS
- CAS No. 912569-68-7
- Article Data3
- CAS DataBase
- Density 1.08g/cm3
- Solubility
- Melting Point 76.5-77.5
- Formula C19H23BO3
- Boiling Point 433.9 °C at 760 mmHg
- Molecular Weight 310.201
- Flash Point 216.2 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-(Phenoxymethyl)benzeneboronic acid, pinacol ester;4,4,5,5-tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane;4,4,5,5-Tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane , 97+%;2-[3-(Phenoxymethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- PSA 27.69000
- LogP 3.56480
1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-[3-(phenoxymethyl)phenyl]- Specification
The 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-[3-(phenoxymethyl)phenyl]-, with CAS registry number 912569-68-7, has the systematic name of 4,4,5,5-tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane. Besides this, it is also called 3-(Phenoxymethyl)benzeneboronic acid, pinacol ester. And the chemical formula of this chemical is C19H23BO3.
Physical properties of 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-[3-(phenoxymethyl)phenyl]-: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 27.69 Å2; (5)Index of Refraction: 1.544; (6)Molar Refractivity: 90.53 cm3; (7)Molar Volume: 286.7 cm3; (8)Polarizability: 35.89×10-24cm3; (9)Surface Tension: 38.5 dyne/cm; (10)Density: 1.08 g/cm3; (11)Flash Point: 216.2 °C; (12)Enthalpy of Vaporization: 66.33 kJ/mol; (13)Boiling Point: 433.9 °C at 760 mmHg; (14)Vapour Pressure: 2.51E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)c2cccc(c2)COc3ccccc3
(2)InChI: InChI=1/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)16-10-8-9-15(13-16)14-21-17-11-6-5-7-12-17/h5-13H,14H2,1-4H3
(3)InChIKey: AFDZGEOQKHIWKF-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)16-10-8-9-15(13-16)14-21-17-11-6-5-7-12-17/h5-13H,14H2,1-4H3
(5)Std. InChIKey: AFDZGEOQKHIWKF-UHFFFAOYSA-N
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