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218-19-9

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Basic Information
CAS No.: 218-19-9
Name: Naphtho[1,2-h]quinoline
Article Data: 4
Molecular Structure:
Molecular Structure of 218-19-9 (Naphtho[1,2-h]quinoline)
Formula: C17H11 N
Molecular Weight: 229.281
Synonyms: 4-Azachrysene
Density: 1.239g/cm3
Melting Point: 113-115 °C
Boiling Point: 449.7°Cat760mmHg
Flash Point: 203.2°C
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
PSA: 12.89000
LogP: 4.54120
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Chemistry

Molecule structure of Naphtho(1,2-h)quinoline (CAS NO.218-19-9):

IUPAC Name: Naphtho[1,2-h]quinoline 
Molecular Weight: 229.27594 g/mol
Molecular Formula: C17H11N 
Density: 1.239 g/cm3 
Boiling Point: 449.7 °C at 760 mmHg 
Flash Point: 203.2 °C
Index of Refraction: 1.783
Molar Refractivity: 77.87 cm3
Molar Volume: 185 cm3
Polarizability: 30.87×10-24 cm3
Surface Tension: 59 dyne/cm 
Enthalpy of Vaporization: 68.12 kJ/mol
Vapour Pressure: 7.47E-08 mmHg at 25 °C
XLogP3: 4.8
H-Bond Acceptor: 1
Exact Mass: 229.089149
MonoIsotopic Mass: 229.089149
Topological Polar Surface Area: 12.9
Heavy Atom Count: 18
Complexity: 300
Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3N=CC=C4
InChI: InChI=1S/C17H11N/c1-2-6-14-12(4-1)7-10-16-15(14)9-8-13-5-3-11-18-17(13)16/h1-11H
InChIKey of Naphtho(1,2-h)quinoline (CAS NO.218-19-9): OZIRORHUKSXTLG-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mic-sat 10 µLg/plate

     MUREAV    Mutation Research. 158 (1985),125.

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.

Specification

 Naphtho(1,2-h)quinoline (CAS NO.218-19-9) is also named as 4-20-00-04295 (Beilstein Handbook Reference) ; 4-Azachrysene ; BRN 0154997 ; CCRIS 1606 .