CAS No.128388-54-5,(3,5-Diphenylphenyl)boronic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	128388-54-5
Name:	(3,5-Diphenylphenyl)boronic acid

Formula:	C₁₈H₁₅BO₂
Molecular Weight:	274.127
Synonyms:	Boronicacid, [1,1':3',1''-terphenyl]-5'-yl- (9CI);1,1':3',1''-terphenyl-5'-ylboronic acid;
EINECS:	681-185-0
Density:	1.211 g/cm³
Melting Point:	292-296 °C
Boiling Point:	513.022 °C at 760 mmHg
Flash Point:	264.066 °C
Solubility:	Insoluble in water.
Appearance:	off-white solid
Risk Codes:	36/37/38
Safety:	26-37
PSA:	40.46000
LogP:	2.70040

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Specification

The (3,5-Diphenylphenyl)boronic acid, with the CAS registry number 128388-54-5, has the systematic name of 1,1':3',1''-terphenyl-5'-ylboronic acid. And the molecular formula of the chemical is C₁₈H₁₅BO₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 4.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 7334; (6)ACD/BCF (pH 7.4): 6067; (7)ACD/KOC (pH 5.5): 20328; (8)ACD/KOC (pH 7.4): 16815; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 82.701 cm³; (15)Molar Volume: 226.322 cm³; (16)Polarizability: 32.785×10^-24cm³; (17)Surface Tension: 54.815 dyne/cm; (18)Density: 1.211 g/cm³; (19)Flash Point: 264.066 °C; (20)Enthalpy of Vaporization: 82.582 kJ/mol; (21)Boiling Point: 513.022 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OB(O)c1cc(cc(c1)c2ccccc2)c3ccccc3
(2)InChI: InChI=1/C18H15BO2/c20-19(21)18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13,20-21H
(3)InChIKey: MRBZYVMZUBUDAX-UHFFFAOYAB

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