2-(4-tert-Butylphenyl)-5-(4-biphenyl)-1,3,4-oxadiazole

Molecular Structure of 2-(4-tert-Butylphenyl)-5-(4-biphenyl)-1,3,4-oxadiazole (CAS No.15082-28-7):

Molecular Formula: C₂₄H₂₂N₂O 
Molecular Weight: 354.4443
CAS No: 15082-28-7
IUPAC Name: 2-(4-Tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole 
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 4
Polar Surface Area: 38.92 Å²
Index of Refraction: 1.579
Molar Refractivity: 106.89 cm³
Molar Volume: 321.2 cm³
Surface Tension: 41.9 dyne/cm
Density: 1.103 g/cm³
Flash Point: 244.9 °C
Enthalpy of Vaporization: 74.53 kJ/mol
Boiling Point: 505.1 °C at 760 mmHg
Vapour Pressure: 7.91E-10 mmHg at 25°C
InChI: InChI=1/C₂₄H₂₂N₂O/c1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16H,1-3H3
InChIKey: XZCJVWCMJYNSQO-UHFFFAOYAT
Std. InChI: InChI=1S/C₂₄H₂₂N₂O/c1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16H,1-3H3
Std. InChIKey: XZCJVWCMJYNSQO-UHFFFAOYSA-N
Product Categories: Miscellaneous;Electroluminescence;Functional Materials;Highly Purified Reagents;Other Categories;Refined Products by Sublimation;White powder

  2-(4-tert-Butylphenyl)-5-(4-biphenyl)-1,3,4-oxadiazole has widely uses:
  As a fluorescent organic compound, it is used in the Liquid Scintillator Neutrino Detector (LSND) at Los Alamos National Laboratory, USA.
  As a scintillant in the LSND, it was used at a concentration of 31 mg/l (87 µmol/l) dissolved in mineral oil.
 

Hazard Codes: Xi,Xn
Risk Statements: 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36-26
S24/25:Avoid contact with skin and eyes. 
S36:Wear suitable protective clothing. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
F: 8
Hazard Note: Irritant

    2-(4-tert-Butylphenyl)-5-(4-biphenyl)-1,3,4-oxadiazole (CAS No.15082-28-7), its synonyms are 1,3,4-Oxadiazole, 2-(1,1'-biphenyl)-4-yl-5-(4-(1,1-dimethylethyl)phenyl)- ; 1,3,4-Oxadiazole, 2-(4-biphenylyl)-5-(p-tert-butylphenyl)- ; 1,3,4-Oxadiazole, 2-[1,1'-biphenyl]-4-yl-5-[4-(1,1-dimethylethyl)phenyl]- ; 2-(Biphenyl-4-yl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole ; 2-Biphenyl-4-yl-5-(4-tert-butylphenyl)-1,3,4-oxadiazole ; 1,3,4-Oxadiazole, 2-[1, 1'-biphenyl]-4-yl-5-[4- (1,1-dimethylethyl)phenyl]- ; 2-(4-Biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole