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4-n-Octylbiphenyl (7116-97-4)

Identification
Name:4-n-Octylbiphenyl
Synonyms:-
CAS:7116-97-4
Molecular Formula: C20H26
Molecular Weight: 266.42
InChI: InChI=1/C20H26/c1-2-3-4-5-6-8-11-18-14-16-20(17-15-18)19-12-9-7-10-13-19/h7,9-10,12-17H,2-6,8,11H2,1H3
Molecular Structure: (C20H26) -
Properties
Flash Point: 201.2°C
Boiling Point: 381.5°C at 760 mmHg
Density:0.929g/cm3
Refractive index:1.527
Specification:

The 4-Octylbiphenyl with its cas register number is 7116-97-4. It also can be called as 4-Octyl-1,1'-biphenyl and the IUPAC Name about this chemical is 1-octyl-4-phenylbenzene. When you are using this chemical, please avoid contact with skin and eyes. 

Physical properties about 4-Octylbiphenyl are: (1)#Freely Rotating Bonds: 8; (2)Index of Refraction: 1.527; (3)Molar Refractivity: 88.19 cm3; (4)Molar Volume: 286.5 cm3; (5)Polarizability: 34.96x10-24cm3; (6)Surface Tension: 34.7 dyne/cm; (7)Enthalpy of Vaporization: 60.51 kJ/mol; (8)Vapour Pressure: 1.11E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2
(2)InChI: InChI=1S/C20H26/c1-2-3-4-5-6-8-11-18-14-16-20(17-15-18)19-12-9-7-10-13-19/h7,9-10,12-17H,2-6,8,11H2,1H3
(3)InChIKey: KCLBLDDJJJNGBC-UHFFFAOYSA-N 

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2400mg/kg (2400mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE WEAKNESS		 Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 34(4), Pg. 23, 1990.

 

Flash Point: 201.2°C
Safety Data
 

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