CAS No.850568-69-3,3-(TETRAHYDRO-2H-PYRAN-2-YLOXY)PHENYLBORONIC ACID PINACOL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	850568-69-3
Name:	3-(TETRAHYDRO-2H-PYRAN-2-YLOXY)PHENYLBORONIC ACID PINACOL ESTER

Formula:	C₁₇H₂₅BO₄
Molecular Weight:	304.194
Synonyms:	3-(2-Tetrahydro-2H-pyran-2-yloxy)benzeneboronic acid, pinacol ester;3-(Tetrahydro-2H-pyran-2-yloxy)phenylboronic acid pinacol ester;3-Thpo-phenylboronic acid, pinacol ester;
Density:	1.085 g/cm³
Melting Point:	44-48 °C
Boiling Point:	425.232 °C at 760 mmHg
Flash Point:	210.973 °C
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26
PSA:	36.92000
LogP:	2.89120

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Specification

The systematic name of 2H-Pyran,tetrahydro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]- is 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]tetrahydro-2H-pyran. With the CAS registry number 850568-69-3, it is also named as 3-(2-Tetrahydro-2H-pyran-2-yloxy)benzeneboronic acid, pinacol ester. The product's categories are Blocks; Boronic Acids; Aryl; Boronic Ester; Organoborons. It should be kept in cold place. In addition, its molecular formula is C₁₇H₂₅BO₄ and its molecular weight is 304.19.

The other characteristics of 2H-Pyran,tetrahydro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]- can be summarized as: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 36.92 Å²; (5)Index of Refraction: 1.511; (6)Molar Refractivity: 84.025 cm³; (7)Molar Volume: 280.399 cm³; (8)Polarizability: 33.31×10^-24cm³; (9)Surface Tension: 36.583 dyne/cm; (10)Density: 1.085 g/cm³; (11)Flash Point: 210.973 °C; (12)Melting Point: 44-48 °C; (13)Enthalpy of Vaporization: 65.353 kJ/mol; (14)Boiling Point: 425.232 °C at 760 mmHg; (15)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: CC1(C)OB(OC1(C)C)c3cc(OC2CCCCO2)ccc3
(2)InChI: InChI=1/C17H25BO4/c1-16(2)17(3,4)22-18(21-16)13-8-7-9-14(12-13)20-15-10-5-6-11-19-15/h7-9,12,15H,5-6,10-11H2,1-4H3
(3)InChIKey: RIOLVUFARFCCCE-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C17H25BO4/c1-16(2)17(3,4)22-18(21-16)13-8-7-9-14(12-13)20-15-10-5-6-11-19-15/h7-9,12,15H,5-6,10-11H2,1-4H3
(5)Std. InChIKey: RIOLVUFARFCCCE-UHFFFAOYSA-N