CAS No.138500-87-5,(4-PHTHALIMIDOMETHYLPHENYL)BORONIC ACID PINACOL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	138500-87-5
Name:	(4-PHTHALIMIDOMETHYLPHENYL)BORONIC ACID PINACOL ESTER
Article Data:	4

Formula:	C₂₁H₂₂BNO₄
Molecular Weight:	363.221
Synonyms:	2-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl) benzyl]-1H-isoindole-1,3(2H)-dione;
Density:	1.23 g/cm³
Melting Point:	155-158 °C
Boiling Point:	504 °C at 760 mmHg
Flash Point:	258.6 °C
Hazard Symbols:	Xi
PSA:	55.84000
LogP:	2.71990

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Specification

The CAS registry number of 1H-Isoindole-1,3(2H)-dione,2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]- is 138500-87-5. The IUPAC name is 2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]isoindole-1,3-dione. In addition, the molecular formula is C₂₁H₂₂BNO₄ and the molecular weight is 363.21. What's more, it is a kind of irritating chemical and should be stored in a cool and dry place.

Physical properties about 1H-Isoindole-1,3(2H)-dione,2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]- are: (1)#H bond acceptors: 5; (2)#Freely Rotating Bonds: 3; (3)Polar Surface Area: 55.84 Å²; (4)Index of Refraction: 1.596; (5)Molar Refractivity: 100.12 cm³; (6)Molar Volume: 293.9 cm³; (7)Polarizability: 39.69 ×10^-24cm³; (8)Surface Tension: 49.4 dyne/cm; (9)Density: 1.23 g/cm³; (10)Flash Point: 258.6 °C; (11)Enthalpy of Vaporization: 77.34 kJ/mol; (12)Boiling Point: 504 °C at 760 mmHg; (13)Vapour Pressure: 2.76E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1C(=O)N2Cc4ccc(B3OC(C)(C)C(O3)(C)C)cc4
(2)InChI: InChI=1/C21H22BNO4/c1-20(2)21(3,4)27-22(26-20)15-11-9-14(10-12-15)13-23-18(24)16-7-5-6-8-17(16)19(23)25/h5-12H,13H2,1-4H3
(3)InChIKey: ZLSIUDAKDAXZRV-UHFFFAOYAV