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4463-41-6

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Basic Information
CAS No.: 4463-41-6
Name: 4-(1,3,2-DIOXABORINAN-2-YL)BENZALDEHYDE
Article Data: 4
Molecular Structure:
Molecular Structure of 4463-41-6 (4-(1,3,2-DIOXABORINAN-2-YL)BENZALDEHYDE)
Formula: C10H11BO3
Molecular Weight: 176.023
Synonyms: p-Tolueneboronic acid, cyclic trimethyleneester (8CI);1,3-Propanediol cyclic p-tolueneboronate;2-(4-Methylphenyl)-1,3-dioxa-2-borinane;2-(4-Tolyl)-1,3,2-dioxaborinane;2-p-Tolyl-1,3,2-dioxaborinane;
Density: 1.12 g/cm3
Boiling Point: 350.7 °C at 760 mmHg
Flash Point: 165.9 °C
Hazard Symbols: IrritantXi
PSA: 35.53000
LogP: 0.63120
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Specification

The 1, 3, 2-Dioxaborinane, 2-(4-methylphenyl)-, with the CAS registry number of 4463-41-6, is also known as p-(1, 3, 2-Dioxaborinan-2-yl)benzaldehyde. This chemical's molecular formula is C10H11BO3 and molecular weight is 190.0035. What's more, its systematic name is called 4-(1, 3, 2-Dioxaborinan-2-yl)benzaldehyde.

Physical properties about 1, 3, 2-Dioxaborinane, 2-(4-methylphenyl)- are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 35.53 Å2; (5)Index of Refraction: 1.511; (6)Molar Refractivity: 50.52 cm3; (7)Molar Volume: 168.4 cm3; (8)Surface Tension: 37.2 dyne/cm; (9)Density: 1.12 g/cm3; (10)Flash Point: 165.9 °C; (11)Enthalpy of Vaporization: 59.53 kJ/mol; (12)Boiling Point: 350.7 °C at 760 mmHg; (13)Vapour Pressure: 4.33E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc2ccc(B1OCCCO1)cc2
(2) InChI: InChI=1/C10H11BO3/c12-8-9-2-4-10(5-3-9)11-13-6-1-7-14-11/h2-5,8H,1,6-7H2
(3) InChIKey: AMQBUMNOSGJNQL-UHFFFAOYAI