CAS No.182344-29-2,4-ETHOXYBIPHENYL-4'-BORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	182344-29-2
Name:	4-ETHOXYBIPHENYL-4'-BORONIC ACID
Article Data:	1

Formula:	C₁₄H₁₅BO₃
Molecular Weight:	242.082
Synonyms:	4-Ethoxybiphenyl-4'-boronic acid;
Density:	1.17 g/cm³
Melting Point:	259-264 °C
Boiling Point:	428.2 °C at 760 mmHg
Flash Point:	212.8 °C
Appearance:	solid
PSA:	49.69000
LogP:	1.43210

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Specification

The IUPAC name of 4-Ethoxybiphenyl-4'-boronic acid is [4-(4-ethoxyphenyl)phenyl]boronic acid. With the CAS registry number 182344-29-2, it is also named as Boronic acid,(4'-ethoxy[1,1'-biphenyl]-4-yl)-. The product's categories are Blocks; Boronic Acids; Aryl; Boronic Acids; Boronic Acids and Derivatives. Besides, it is solid, which should be stored in closed containers in a cool, dry warehouse. In addition, its molecular formula is C₁₄H₁₅BO₃ and molecular weight is 242.08.

The other characteristics of 4-Ethoxybiphenyl-4'-boronic acid can be summarized as: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.69; (4)ACD/LogD (pH 7.4): 3.67; (5)ACD/BCF (pH 5.5): 377.27; (6)ACD/BCF (pH 7.4): 356.55; (7)ACD/KOC (pH 5.5): 2431.55; (8)ACD/KOC (pH 7.4): 2297.97; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 27.69 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 68.99 cm³; (15)Molar Volume: 205.5 cm³; (16)Polarizability: 27.34×10^-24cm³; (17)Surface Tension: 48.4 dyne/cm; (18)Density: 1.17 g/cm³; (19)Flash Point: 212.8 °C; (20)Melting point: 259-264 °C; (21)Enthalpy of Vaporization: 72.03 kJ/mol; (22)Boiling Point: 428.2 °C at 760 mmHg; (23)Vapour Pressure: 4.27E-08 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O(c1ccc(cc1)c2ccc(B(O)O)cc2)CC
(2)InChI: InChI=1/C14H15BO3/c1-2-18-14-9-5-12(6-10-14)11-3-7-13(8-4-11)15(16)17/h3-10,16-17H,2H2,1H3
(3)InChIKey: ZFFXATWYKJBSCC-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C14H15BO3/c1-2-18-14-9-5-12(6-10-14)11-3-7-13(8-4-11)15(16)17/h3-10,16-17H,2H2,1H3
(5)Std. InChIKey: ZFFXATWYKJBSCC-UHFFFAOYSA-N