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191-27-5

Basic Information
CAS No.: 191-27-5
Name: acridino[2,1,9,8-klmna]acridine
Molecular Structure:
Molecular Structure of 191-27-5 (acridino[2,1,9,8-klmna]acridine)
Formula: C20H10 N2
Molecular Weight: 278.313
Synonyms: 6,12-Diazaanthanthrene;6,12-Diazadibenzo[cd,jk]pyrene; Dinyline
Density: 1.489g/cm3
Boiling Point: 516.4°Cat760mmHg
Flash Point: 237.7°C
Safety: Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
PSA: 25.78000
LogP: 5.11820
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Chemistry

Empirical Formula of 6,12-Diazaanthanthrene (CAS NO.191-27-5): C20H10N2
Molecular Weight: 278.3068 g/mol
EINECS: 205-885-9 
Index of Refraction: 2.059
Density: 1.489 g/cm3
Flash Point: 237.7 °C
Enthalpy of Vaporization: 75.88 kJ/mol
Boiling Point: 516.4 °C at 760 mmHg
Vapour Pressure: 2.93E-10 mmHg at 25 °C
Structure of 6,12-Diazaanthanthrene (CAS NO.191-27-5):
                             
Canonical SMILES: C1=CC2=C3C(=C1)N=C4C=CC5=C6C4=C3C(=NC6=CC=C5)C=C2
InChI: InChI=1S/C20H10N2/c1-3-11-7-9-16-19-17(11)13(5-1)21-15-10-8-12-4-2-6-14(22-16)18(12)20(15)19/h1-10H
InChIKey: QJFHKSYOIDHBGD-UHFFFAOYSA-N

Safety Profile

Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.

Specification

 6,12-Diazaanthanthrene (CAS NO.191-27-5) also can be called Acridino(2,1,9,8-klmna)acridine ; and 6,12-Diazadibenzo(cd,jk)pyrene .