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| CAS No.: | 159191-56-7 |
|---|---|
| Name: | 4-(TERT-BUTYLDIMETHYLSILYLOXY)PHENYLBORONIC ACID |
| Article Data: | 21 |
| Molecular Structure: | |
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| Formula: | C12H21BO3Si |
| Molecular Weight: | 252.193 |
| Synonyms: | 4-(tert-Butyldimethylsilyloxy)benzeneboronic acid;Boronicacid, [4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]- (9CI);4-(tert-Butyldimethylsilyloxy)phenylboronic acid;[4-(tert-Butyldimethylsilanyloxy)phenyl]boronic acid; |
| Density: | 1.019g/cm3 |
| Melting Point: | 194-198 °C(lit.) |
| Boiling Point: | 321.358 °C at 760 mmHg |
| Flash Point: | 148.152 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 49.69000 |
| LogP: | 1.75040 |
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Specification
The Boronic acid,B-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]- is an organic compound with the formula C12H21BO3Si. The systematic name of this chemical is (4-{[Tert-butyl(dimethyl)silyl]oxy}phenyl)boronic acid. With the CAS registry number 159191-56-7, it is also named as 4-(Tert-Butyldimethylsiloxy)phenylboronicacid. The product's categories are Blocks; BoronicAcids; Aryl; Organoborons; Boronic Acid; Boronic Acids and Derivatives. Besides, it should be stored in a cool, sealed, dry place.
Physical properties about Boronic acid,B-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]phenyl]- are: (1)ACD/LogP: -0.16; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 23; (5)ACD/KOC (pH 7.4): 22; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 49.69 Å2; (10)Index of Refraction: 1.49; (11)Molar Refractivity: 71.569 cm3; (12)Molar Volume: 247.556 cm3; (13)Polarizability: 28.372×10-24 cm3; (14)Surface Tension: 31.616 dyne/cm; (15)Density: 1.019 g/cm3; (16)Flash Point: 148.152 °C; (17)Enthalpy of Vaporization: 59.447 kJ/mol; (18)Boiling Point: 321.358 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C12H21BO3Si/c1-12(2,3)17(4,5)16-11-8-6-10(7-9-11)13(14)15/h6-9,14-15H,1-5H3
(2)InChIKey: NVHHEADQQACSCJ-UHFFFAOYAF
(3)Std. InChI: InChI=1S/C12H21BO3Si/c1-12(2,3)17(4,5)16-11-8-6-10(7-9-11)13(14)15/h6-9,14-15H,1-5H3
(4)Std. InChIKey: NVHHEADQQACSCJ-UHFFFAOYSA-N