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4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid

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Name

4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid

EINECS N/A
CAS No. 5748-42-5 Density 1.087 g/cm3
PSA 37.30000 LogP 4.34930
Solubility N/A Melting Point 270?°C (dec.)(lit.)
Formula C17H18O2 Boiling Point 392.9 °C at 760 mmHg
Molecular Weight 254.329 Flash Point 185.4 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5748-42-5 (4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid) Hazard Symbols N/A
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)-;

Article Data 4

4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid 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

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