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4-Nonylbiphenyl

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Name

4-Nonylbiphenyl

EINECS N/A
CAS No. 93972-01-1 Density 0.925 g/cm3
PSA 0.00000 LogP 6.64670
Solubility N/A Melting Point 41 °C
Formula C21H28 Boiling Point 396 °C at 760 mmHg
Molecular Weight 280.453 Flash Point 212.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes R34
Molecular Structure Molecular Structure of 93972-01-1 (4-N-NONYLBIPHENYL) Hazard Symbols C
Synonyms

4-nonyl-1,1'-biphenyl;4-N-NONYLBIPHENYL;

Article Data 2

4-Nonylbiphenyl Specification

The 4-Nonylbiphenyl, with the cas registry number 93972-01-1, is also called 4-nonyl-1,1'-biphenyl. It usually used as Intermediates of Liquid Crystals. And the molecular formula of the chemical is C21H28.

The characteristics of this chemical are as followings: (1)ACD/LogP: 8.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.69; (4)ACD/LogD (pH 7.4): 8.69; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1266162.63; (8)ACD/KOC (pH 7.4): 1266162.63; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 92.82 cm3; (15)Molar Volume: 303 cm3; (16)Polarizability: 36.79×10-24cm3; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 0.925 g/cm3; (19)Flash Point: 212.3 °C; (20)Enthalpy of Vaporization: 62.1 kJ/mol; (21)Boiling Point: 396 °C at 760 mmHg; (22)Vapour Pressure: 4.04E-06 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: c1cc(ccc1CCCCCCCCC)c2ccccc2
(2)InChI: InChI=1/C21H28/c1-2-3-4-5-6-7-9-12-19-15-17-21(18-16-19)20-13-10-8-11-14-20/h8,10-11,13-18H,2-7,9,12H2,1H3
(3)InChIKey: XMYSGVNXYKACMA-UHFFFAOYAV

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