Name: 9 9-DIOCTYLFLUORENE-2 7-DIBORONIC ACID
SKU: 258865-48-4

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Basic Information

Molecular Structure:
CAS No.:	258865-48-4
Name:	9 9-DIOCTYLFLUORENE-2 7-DIBORONIC ACID
Article Data:	8

Formula:	C₂₉H₄₄B₂O₄
Molecular Weight:	478.288
Synonyms:	Boronicacid, (9,9-dioctyl-9H-fluorene-2,7-diyl)bis- (9CI);9,9-Dioctylfluorene-2,7-diboronic acid;(9,9-dioctyl-9H-fluorene-2,7-diyl)diboronic acid;
Density:	1.08g/cm³
Melting Point:	158-162 °C(lit.)
Boiling Point:	670.8 °C at 760 mmHg
Flash Point:	359.5 °C
Appearance:	White to off-white powder
Risk Codes:	22-24/25
Safety:	22-24/25
PSA:	80.92000
LogP:	4.81390

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Specification

The Boronic acid,B,B'-(9,9-dioctyl-9H-fluorene-2,7-diyl)bis-, with the CAS registry number 258865-48-4, has the systematic name of (9,9-dioctyl-9H-fluorene-2,7-diyl)diboronic acid. And the molecular formula of this chemical is C₂₉H₄₄B₂O₄. It is a kind of white to off-white powder, and belongs to the following product categories: Blocks; Boronic Acids; Fluorene; Organoborons; Aryl; Boronic Acids; Boronic Acids and Derivatives. In addition, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The physical properties of Boronic acid,B,B'-(9,9-dioctyl-9H-fluorene-2,7-diyl)bis- are as following: (1)ACD/LogP: 11.38; (2)# of Rule of 5 Violations: 1 ; (3)#H bond acceptors: 4; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 20; (6)Polar Surface Area: 36.92 Å²; (7)Index of Refraction: 1.556; (8)Molar Refractivity: 141.2 cm³; (9)Molar Volume: 439.2 cm³; (10)Polarizability: 55.97×10^-24cm³; (11)Surface Tension: 47.7 dyne/cm; (12)Density: 1.08 g/cm³; (13)Flash Point: 359.5 °C; (14)Enthalpy of Vaporization: 103.54 kJ/mol; (15)Boiling Point: 670.8 °C at 760 mmHg; (16)Vapour Pressure: 6.56E-19 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c3ccc2c1ccc(cc1C(c2c3)(CCCCCCCC)CCCCCCCC)B(O)O
(2)InChI: InChI=1/C29H44B2O4/c1-3-5-7-9-11-13-19-29(20-14-12-10-8-6-4-2)27-21-23(30(32)33)15-17-25(27)26-18-16-24(31(34)35)22-28(26)29/h15-18,21-22,32-35H,3-14,19-20H2,1-2H3
(3)InChIKey: HURJMQMZDPOUOU-UHFFFAOYAV