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664991-83-7

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Basic Information
CAS No.: 664991-83-7
Name: 4,4,5,5-TETRAMETHYL-2-(4-(OXIRAN-2-YLMETHOXY)PHENYL)-1,3,2-DIOXABOROLANE
Article Data: 2
Molecular Structure:
Molecular Structure of 664991-83-7 (4,4,5,5-TETRAMETHYL-2-(4-(OXIRAN-2-YLMETHOXY)PHENYL)-1,3,2-DIOXABOROLANE)
Formula: C15H21BO4
Molecular Weight: 276.14
Synonyms: 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-[4-(oxiranylmethoxy)phenyl]- (9CI);4-(Oxiran-2-ylmethoxy)benzeneboronic acid, pinacol ester;
Density: 1.11 g/cm3
Melting Point: 57-61℃
Boiling Point: 387.6 °C at 760 mmHg
Flash Point: 188.2 °C
Hazard Symbols: IrritantXi
PSA: 40.22000
LogP: 1.76340
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Specification

The 1, 3, 2-Dioxaborolane, 4, 4, 5, 5-tetramethyl-2-[4-(2-oxiranylmethoxy)phenyl]-, with the CAS registry number 664991-83-7, is also known as 4-(Oxiran-2-ylmethoxy)benzeneboronic acid, pinacol ester. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C15H21BO4 and molecular weight is 276.14. What's more, its systematic name is 4, 4, 5, 5-Tetramethyl-2-[4-(oxiran-2-ylmethoxy)phenyl]-1, 3, 2-dioxaborolane. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 1, 3, 2-Dioxaborolane, 4, 4, 5, 5-tetramethyl-2-[4-(2-oxiranylmethoxy)phenyl]- are: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 40.22 Å2; (5)Index of Refraction: 1.515; (6)Molar Refractivity: 74.76 cm3; (7)Molar Volume: 247.9 cm3; (8)Polarizability: 29.63×10-24 cm3; (9)Surface Tension: 36.5 dyne/cm; (10)Density: 1.11 g/cm3; (11)Flash Point: 188.2 °C; (12)Enthalpy of Vaporization: 61.18 kJ/mol; (13)Boiling Point: 387.6 °C at 760 mmHg; (14)Vapour Pressure: 7.26E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)OCC3CO3
(2) InChI: InChI=1/C15H21BO4/c1-14(2)15(3,4)20-16(19-14)11-5-7-12(8-6-11)17-9-13-10-18-13/h5-8,13H,9-10H2,1-4H3
(3) InChIKey: SMSGMQUMNANAOD-UHFFFAOYAY