Name: 4-Butoxy-4'-biphenylcarboxylic acid
SKU: 59748-14-0

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Basic Information

Molecular Structure:
CAS No.:	59748-14-0
Name:	4-Butoxy-4'-biphenylcarboxylic acid
Article Data:	5

Formula:	C₁₇H₁₈O₃
Molecular Weight:	270.328
Synonyms:	4-n-Butyloxybiphenyl-4'-carboxylic acid;
Density:	1.122 g/cm³
Melting Point:	267-268℃
Boiling Point:	438 °C at 760 mmHg
Flash Point:	159.7 °C
PSA:	46.53000
LogP:	4.23070

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Specification

The 4-Butoxy-4'-biphenylcarboxylic acid, with the CAS registry number of 59748-14-0, is also known as 4-n-Butyloxybiphenyl-4'-carboxylic acid. It belongs to the product category of Biphenyl & Diphenyl Ether. This chemical's molecular formula is C₁₇H₁₈O₃ and molecular weight is 270.32. What's more, its systematic name is called 4'-Butoxybiphenyl-4-carboxylic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be avoided contact with oxidant, moisture.

Physical properties about 4-Butoxy-4'-biphenylcarboxylic acid are: (1)ACD/LogP: 5.16; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.91; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 278.85; (6)ACD/BCF (pH 7.4): 7.15; (7)ACD/KOC (pH 5.5): 866.84; (8)ACD/KOC (pH 7.4): 22.22; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 78.35 cm³; (15)Molar Volume: 240.7 cm³; (16)Surface Tension: 43.6 dyne/cm; (17)Density: 1.122 g/cm³; (18)Flash Point: 159.7 °C; (19)Enthalpy of Vaporization: 73.22 kJ/mol; (20)Boiling Point: 438 °C at 760 mmHg; (21)Vapour Pressure: 1.91E-08 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 4'-Butoxy-biphenyl-4-carboxylic acid 1-(4-formyl-phenyl)-piperidin-4-yl ester. This reaction needs reagents DMAP and DCCI. Meanwhile, it needs solvent CH₂Cl₂. The reaction temperature is 0-25 °C. The yield is about 77 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c2ccc(c1ccc(OCCCC)cc1)cc2
(2) InChI: InChI=1/C17H18O3/c1-2-3-12-20-16-10-8-14(9-11-16)13-4-6-15(7-5-13)17(18)19/h4-11H,2-3,12H2,1H3,(H,18,19)
(3) InChIKey: CMNSCPHEWQDYHW-UHFFFAOYAQ