CAS No.5748-42-5,4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5748-42-5
Name:	4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid
Article Data:	4

Formula:	C₁₇H₁₈O₂
Molecular Weight:	254.329
Synonyms:	4-Biphenylcarboxylicacid, 4'-tert-butyl- (7CI,8CI);4'-tert-Butylbiphenyl-4-carboxylic acid;[1,1'-biphenyl]-4-carboxylic acid, 4'-(1,1-dimethylethyl)-;4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid;Biphenyl-4-carboxylic acid, 4'-(1,1-dimethylethyl)-;
Density:	1.087 g/cm³
Melting Point:	270?°C (dec.)(lit.)
Boiling Point:	392.9 °C at 760 mmHg
Flash Point:	185.4 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	37.30000
LogP:	4.34930

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Specification

The 4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid, with the CAS registry number 5748-42-5, has the systematic name of 4'-tert-butylbiphenyl-4-carboxylic acid. It belongs to the following product categories: Biphenyls (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials. And the molecular formula of the chemical is C₁₇H₁₈O₂.

The characteristics of 4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid are as followings: (1)ACD/LogP: 5.44; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.14; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 401.34; (6)ACD/BCF (pH 7.4): 10.9; (7)ACD/KOC (pH 5.5): 1086; (8)ACD/KOC (pH 7.4): 29.5; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 76.16 cm³; (15)Molar Volume: 233.9 cm³; (16)Polarizability: 30.19×10^-24cm³; (17)Surface Tension: 40.6 dyne/cm; (18)Density: 1.087 g/cm³; (19)Flash Point: 185.4 °C; (20)Enthalpy of Vaporization: 67.78 kJ/mol; (21)Boiling Point: 392.9 °C at 760 mmHg; (22)Vapour Pressure: 7.07E-07 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c2ccc(c1ccc(cc1)C(C)(C)C)cc2
(2)InChI: InChI=1/C17H18O2/c1-17(2,3)15-10-8-13(9-11-15)12-4-6-14(7-5-12)16(18)19/h4-11H,1-3H3,(H,18,19)
(3)InChIKey: HZIOPONJCVOCFE-UHFFFAOYAY