Phenoxyphenyl-4-boronic acid pinacol ester supplier

Name
Phenoxyphenyl-4-boronic acid pinacol ester
EINECS
CAS No. 269410-26-6
Article Data21
CAS DataBase
Density 1.09
Solubility
Melting Point 54 °C
Formula C₁₈H₂₁BO₃
Boiling Point 393.2±25.0 °C(Predicted)
Molecular Weight 296.174
Flash Point 215.356oC
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(4-Phenoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;(4-Phenoxy)phenylboronic acid pinacol ester;
PSA 27.69000
LogP 3.77810

Phenoxyphenyl-4-boronic acid pinacol ester Specification

The Phenoxyphenyl-4-boronic acid pinacol ester, with the CAS registry number 269410-26-6, is also known as 4,4,5,5-Tetramethyl-2-(4-phenoxyphenyl)-1,3,2-dioxaborolane. This chemical's molecular formula is C₁₈H₂₁BO₃ and molecular weight is 296.17. What's more, its systematic name is called (2-Hydroxy-1,1,2-trimethyl-propoxy)-(4-phenoxyphenyl)borinic acid.

Physical properties about Phenoxyphenyl-4-boronic acid pinacol ester are: (1)ACD/LogP: 4.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.517; (4)ACD/LogD (pH 7.4): 4.175; (5)ACD/BCF (pH 5.5): 1590.731; (6)ACD/BCF (pH 7.4): 723.786; (7)ACD/KOC (pH 5.5): 6782.677; (8)ACD/KOC (pH 7.4): 3086.132; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 58.92 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 89.276 cm³; (15)Molar Volume: 277.968 cm³; (16)Surface Tension: 44.375 dyne/cm; (17)Density: 1.13 g/cm³; (18)Flash Point: 215.356 °C; (19)Enthalpy of Vaporization: 72.55 kJ/mol; (20)Boiling Point: 432.48 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: B(c1ccc(cc1)Oc2ccccc2)(O)OC(C)(C)C(C)(C)O
(2) InChI: InChI=1S/C18H23BO4/c1-17(2,20)18(3,4)23-19(21)14-10-12-16(13-11-14)22-15-8-6-5-7-9-15/h5-13,20-21H,1-4H3
(3) InChIKey: UZGHHHKMJQBRIC-UHFFFAOYSA-N

Product Name

Phenoxyphenyl-4-boronic acid pinacol ester

Phenoxyphenyl-4-boronic acid pinacol ester Specification

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