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p-Terphenyl

Catalog Number
ACM92944-4
CAS Number
92-94-4
Product Name
p-Terphenyl
Structure
Category
Carbon Nanomaterials; Electroluminescence Materials; Other Materials
Synonyms
1,4-Diphenylbenzene
Description
P-terphenyl appears as white or light-yellow needles or leaves. mp: 212-213° C, bp 376°C. Density: 1.23 g/cm³. Insoluble in water. Soluble in hot benzene. Very soluble in hot ethyl alcohol. Usually shipped as a solid mixture with its isomers o-terphenyl and m-terphenyl that is used as a heat-transfer fluid.;White or light-yellow solid.
IUPAC Name
1,4-Diphenylbenzene
Molecular Weight
230.3
Molecular Formula
C18H14
Canonical SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H
InChI Key
XJKSTNDFUHDPQJ-UHFFFAOYSA-N
Boiling Point
389 °C
Melting Point
212-213 °C
Flash Point
207 °C
Purity
99%
Density
1.23 g/cm3
Solubility
Insoluble (NIOSH, 2016);7.82e-08 M;SOL IN BENZENE & ETHANOL (ORDER OF SOLUBILITY IN THESE SUBSTANCES DECR FROM ORTHO TO PARA FORM);Sparingly soluble in lower alcohols and glycols; soluble in common aromatic solvents.;Water solubility = 1.79X10-2 mg/l at 25 °C;Insoluble
Color/Form
COLORLESS OR LIGHT-YELLOW SOLID;White or light-yellow solid.
Complexity
198
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
EC Number
202-205-2
Exact Mass
230.1095
Formal Charge
0
Heavy Atom Count
18
Hydrogen Bond Acceptor Count
0
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
Log P
6.03 (LogP)
Monoisotopic Mass
230.1095
NSC Number
6810
Other Experimental
Heat of formation = 68.36 MJ/kg; Heat of fusion = 146.5 kJ/kg;Crumbly, wax-like flakes at room temperature and light amber liquids above the melting point /Commercial terphenyl mixtures/;Faint, pleasant odor /Commercial terphenyl mixtures/
Rotatable Bond Count
2
RTECS Number
WZ6475000
Topological Polar Surface Area
0 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
UNII
GWP218ZY6F
Vapor Pressure
Very low (NIOSH, 2016);1.00e-07 mmHg;Very low
XLogP3
5.6
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