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Basic Information
CAS No.: 193-40-8
Name: 9,14-Diazadibenzo[a,e]acephenanthrylene
Article Data: 1
Molecular Structure:
Molecular Structure of 193-40-8 (9,14-Diazadibenzo[a,e]acephenanthrylene)
Formula: C22H12 N2
Molecular Weight: 304.36
Synonyms: Benz[a]indeno[1,2,3-de][3,6]phenanthroline;Dibenz[c,f]indeno[1,2,3-ij]copyrine
Density: 1.404g/cm3
Melting Point: 271°C
Boiling Point: 571.4°Cat760mmHg
Flash Point: 264.5°C
Safety: Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits toxic fumes of NOx.
PSA: 25.78000
LogP: 5.58360
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Chemistry

Molecule structure of Dibenz(c,f)indeno(1,2,3-ij)(2,7)naphthyridine (CAS NO.193-40-8):

Molecular Weight of Dibenz(c,f)indeno(1,2,3-ij)(2,7)naphthyridine (CAS NO.193-40-8): 304.34408 g/mol
Molecular Formula: C22H12N2 
Density: 1.404 g/cm3 
Boiling Point: 571.4 °C at 760 mmHg 
Flash Point: 264.5 °C
Index of Refraction: 1.945
Molar Refractivity: 104.33 cm3
Molar Volume: 216.6 cm3
Polarizability: 41.36×10-24 cm3
Surface Tension: 78.8 dyne/cm 
Enthalpy of Vaporization: 82.5 kJ/mol
Vapour Pressure: 1.79E-12 mmHg at 25 °C
XLogP3-AA: 5.1
H-Bond Acceptor: 2
Exact Mass: 304.100048
MonoIsotopic Mass: 304.100048
Topological Polar Surface Area: 25.8
Heavy Atom Count: 24
Complexity: 448 
Canonical SMILES: C1=CC=C2C(=C1)C3=NC4=CC=CC=C4C5=C3C2=NC6=CC=CC=C65
InChI: InChI=1S/C22H12N2/c1-2-8-14-13(7-1)21-20-19(15-9-3-5-11-17(15)23-21)16-10-4-6-12-18(16)24-22(14)20/h1-12H
InChIKey: KYKPQGNQCUTHNH-UHFFFAOYSA-N
Synonyms of Dibenz(c,f)indeno(1,2,3-ij)(2,7)naphthyridine (CAS NO.193-40-8): BRN 0619018 ; CCRIS 8437

Toxicity Data With Reference

1.    

skn-mus TDLo:1200 mg/kg/52W-I:NEO

     BJCAAI    British Journal of Cancer. 17 (1963),266.

Safety Profile

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