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5084-80-0

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Basic Information
CAS No.: 5084-80-0
Name: 4-Methylphenyl boronic acid anhydride
Article Data: 54
Molecular Structure:
Molecular Structure of 5084-80-0 (4-Methylphenyl boronic acid anhydride)
Formula: C21H21B3O3
Molecular Weight: 353.829
Synonyms: Boroxin,tri-p-tolyl- (6CI,7CI,8CI);2,4,6-Tri-p-tolylcyclotrioxaborane;Tri(p-tolyl)boroxine;Tris(4-Methylphenyl)boroxin;Tris(4-tolyl)boroxin;
Density: 1.09 g/cm3
Boiling Point: 408.9 °C at 760 mmHg
Flash Point: 201.1 °C
PSA: 27.69000
LogP: 2.16120
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    Boroxin,2,4,6-tris(4-methylphenyl)-

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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

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Specification

The Boroxin,2,4,6-tris(4-methylphenyl)-, with the CAS registry number 5084-80-0, is also known as Boroxin, tris(4-methylphenyl)- and 2,4,6-Tris(4-methylphenyl)boroxin. This chemical's molecular formula is C21H21B3O3 and molecular weight is 353.8226. What's more, its systematic name is Tris(4-methylphenyl)boroxin.

Physical properties about Boroxin,2,4,6-tris(4-methylphenyl)- are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 27.69 Å2; (5)Index of Refraction: 1.555; (6)Molar Refractivity: 103.63 cm3; (7)Molar Volume: 322.7 cm3; (8)Polarizability: 41.08×10-24 cm3; (9)Surface Tension: 37.7 dyne/cm; (10)Density: 1.09 g/cm3; (11)Flash Point: 201.1 °C; (12)Enthalpy of Vaporization: 63.53 kJ/mol; (13)Boiling Point: 408.9 °C at 760 mmHg; (14)Vapour Pressure: 1.6E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O1B(OB(OB1c2ccc(cc2)C)c3ccc(cc3)C)c4ccc(cc4)C
(2) InChI: InChI=1/C21H21B3O3/c1-16-4-10-19(11-5-16)22-25-23(20-12-6-17(2)7-13-20)27-24(26-22)21-14-8-18(3)9-15-21/h4-15H,1-3H3
(3) InChIKey: YIAIFWGNIWYFPC-UHFFFAOYAB