Triphenylene CAS NO.217-59-4

1.Introduction of 217-59-4

Triphenylene has its CAS registry number of 217-59-4. Its synonyms are benzo(l)phenanthrene; isochrysene; 9,10-benzophena

1.Introduction of 217-59-4

Triphenylene has its CAS registry number of 217-59-4. Its synonyms are benzo(l)phenanthrene; isochrysene; 9,10-benzophenanthrene; 1,2:3,4-dibenznaphthalene; triphenylene; 9,10-benzphenanthrene; benzo(1)phenanthrene. Its product categories are aromatic hydrocarbons (substituted) & derivatives, naphthyridine, quinoline, OLED materials, pharm chemical, electronic chemical.

2.Properties of 217-59-4

ACD/LogP: 5.729
# of Rule of 5 Violations: 1
ACD/LogD (pH 5.5): 5.73
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 5.5): 13312.29
ACD/BCF (pH 7.4): 13312.29
ACD/KOC (pH 5.5): 31169.38
ACD/KOC (pH 7.4): 31169.38
Index of Refraction: 1.771
Molar Refractivity: 79.78 cm³
Molar Volume: 191.781 cm³
Polarizability: 31.627 10-24cm³
Surface Tension: 53.5410003662109 dyne/cm
Density: 1.19 g/cm³
Flash Point: 209.141 °C
Enthalpy of Vaporization: 65.327 kJ/mol
Boiling Point: 424.998 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 217-59-4

(1)InChI: InChI=1S/C18H12/c1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18/h1-12H
(2)InChIKey: SLGBZMMZGDRARJ-UHFFFAOYSA-N
(3)Canonical SMILES : C1=CC=C2C(=C1)C3=CC=CC=C3C4=CC=CC=C24

4.Safety Information of 217-59-4

Hazard Codes: Xi,N
Risk Statements: 41
Safety Statements: 22-24/25-61-60-39-26
RIDADR: UN 3077 9/PG 3
WGK Germany: 3
RTECS: YK2925000