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CAS No.: | 87100-28-5 |
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Name: | Benzylboronic acid pinacol ester |
Article Data: | 69 |
Molecular Structure: | |
Formula: | C13H19BO2 |
Molecular Weight: | 218.104 |
Synonyms: | 2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; |
Density: | 0.98 g/cm3 |
Boiling Point: | 269.6 °C at 760 mmHg |
Flash Point: | 116.9 °C |
Solubility: | Insoluble in water. |
Hazard Symbols: | Xi |
Safety: | 23-24/25 |
PSA: | 49.69000 |
LogP: | 2.08130 |
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The Benzylboronic acid pinacol ester is an organic compound with the formula C13H19BO2. The IUPAC name of this chemical is 2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane. With the CAS registry number 87100-28-5, it is also named as Benzylboronic acid pinacol ester. The product's categories are Heterocyclic Compounds; Aryl; Boronic ester; Organoborons. Besides, it should be stored in a closed cool and dry place.
Physical properties about Benzylboronic acid pinacol ester are: (1)#H bond acceptors: 2; (2)#Freely Rotating Bonds: 2; (3)Polar Surface Area: 18.46 Å2; (4)Index of Refraction: 1.49; (5)Molar Refractivity: 64.08 cm3; (6)Molar Volume: 221.6 cm3; (7)Polarizability: 25.4×10-24cm3; (8)Surface Tension: 30.7 dyne/cm; (9)Density: 0.98 g/cm3; (10)Flash Point: 116.9 °C; (11)Enthalpy of Vaporization: 48.73 kJ/mol; (12)Boiling Point: 269.6 °C at 760 mmHg; (13)Vapour Pressure: 0.0119 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O1B(OC(C)(C)C1(C)C)Cc2ccccc2
(2)InChI: InChI=1/C13H19BO2/c1-12(2)13(3,4)16-14(15-12)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
(3)InChIKey: YCNQPAVKQPLZRS-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C13H19BO2/c1-12(2)13(3,4)16-14(15-12)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
(5)Std. InChIKey: YCNQPAVKQPLZRS-UHFFFAOYSA-N