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Name |
Benzylboronic acid pinacol ester |
EINECS | N/A |
CAS No. | 87100-28-5 | Density | 0.98 g/cm3 |
PSA | 49.69000 | LogP | 2.08130 |
Solubility | Insoluble in water. | Melting Point |
N/A |
Formula | C13H19BO2 | Boiling Point | 269.6 °C at 760 mmHg |
Molecular Weight | 218.104 | Flash Point | 116.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 23-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; |
Article Data | 69 |
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