Triphenylamine

Details:

1.Introduction of 603-34-9

Triphenylamine has the systematic name of N,N-diphenylaniline. Its CAS registry number is 603-34-9. Triphenylamine derivatives have useful properties in electrical conductivity and electroluminescence which are used in OLEDs as hole-transporters. Our product is 99.0% in purity in the worldwide market.

2.Properties of 603-34-9

ACD/LogP: 5.74
# of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): 5.74
ACD/LogD (pH 7.4): 5.74
ACD/BCF (pH 5.5): 13564.38
ACD/BCF (pH 7.4): 13564.38
ACD/KOC (pH 5.5): 31590.78
ACD/KOC (pH 7.4): 31590.78
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
Polar Surface Area: 3.24 ²
Index of Refraction: 1.646
Molar Refractivity: 80.096 cm³
Molar Volume: 220.594 cm³
Polarizability: 31.753 10-24cm³
Surface Tension: 47.2029991149902 dyne/cm
Density: 1.112 g/cm³
Flash Point: 157.324 °C
Enthalpy of Vaporization: 61.124 kJ/mol
Boiling Point: 365 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 603-34-9

(1)InChI: InChI=1S/C18H15N/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
(2)InChIKey: ODHXBMXNKOYIBV-UHFFFAOYSA-N
(3)Canonical SMILES : C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3

4.Safety Information of of 603-34-9

Hazard Codes: Xi
Risk Statements: 36/38-36/37/38
Safety Statements: 26-28-37/39-26,37/39
WGK Germany: 2
RTECS: YK2680000
Hazard Note: Irritant
HS Code: 29214980

5.Reactivity of 603-34-9

Triphenylamine neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.