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78432-19-6
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Basic Information
CAS No.: 78432-19-6
Name: DINITROPYRENE
Molecular Structure:
Molecular Structure of 78432-19-6 (DINITROPYRENE)
Formula: C16H8 N2 O4
Molecular Weight: 292.26
Synonyms: Dinitropyrene
Density: 1.574g/cm3
Boiling Point: 537.5°C at 760 mmHg
Flash Point: 275.7°C
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
PSA: 91.64000
LogP: 5.44680
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Chemistry

Molecule structure of Dinitropyrene (CAS NO.78432-19-6):

IUPAC Name: 1,2-Dinitropyrene 
Molecular Weight: 292.24572 g/mol
Molecular Formula: C16H8N2O4
Density: 1.574 g/cm3 
Boiling Point: 537.5 °C at 760 mmHg 
Flash Point: 275.7 °C
Index of Refraction: 1.887
Molar Refractivity: 85.55 cm3
Molar Volume: 185.6 cm3
Polarizability: 33.91×10-24 cm3
Surface Tension: 83.1 dyne/cm
Enthalpy of Vaporization: 78.39 kJ/mol
Vapour Pressure: 4.4E-11 mmHg at 25 °C
XLogP3-AA: 4.7
H-Bond Acceptor: 4
Exact Mass: 292.048407
MonoIsotopic Mass: 292.048407
Topological Polar Surface Area: 86.3
Heavy Atom Count: 22
Complexity: 486
Canonical SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC(=C4[N+](=O)[O-])[N+](=O)[O-])C=C2
InChI: InChI=1S/C16H8N2O4/c19-17(20)13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)18(21)22/h1-8H
InChIKey of Dinitropyrene (CAS NO.78432-19-6): PEOXEBCFEGFKKE-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mic-sat 100 ng/plate

     GDIKAN    Gifu Daigaku Igakubu Kiyo. Papers of the Gifu University School of Medicine. 29 (1981),278.

Safety Profile

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

Specification

 Dinitropyrene (CAS NO.78432-19-6) is also named as HSDB 7091 ; Pyrene, dinitro- .