1,8-Dinitropyrene Structure

1,8-Dinitropyrene

Chemical Properties

Melting point >300 °C
Boiling point 434.19°C (rough estimate)
Density  1.2855 (rough estimate)
refractive index  1.5800 (estimate)
storage temp.  -20°C
solubility  DMSO: soluble2mg/mL, clear, faintly yellow to yellow (faint green-yellow to very dark)
form  Solid
color  Dark to Very Dark Brown
Henry's Law Constant 7.6×104 mol/(m3Pa) at 25℃, HSDB (2015)
InChI 1S/C16H8N2O4/c19-17(20)13-7-3-9-1-2-10-4-8-14(18(21)22)12-6-5-11(13)15(9)16(10)12/h1-8H
InChIKey BLYXNIHKOMELAP-UHFFFAOYSA-N
SMILES [O-][N+](=O)c1ccc2ccc3ccc([N+]([O-])=O)c4ccc1c2c34
FDA UNII 51U7E9MW6I
Proposition 65 List 1,8-Dinitropyrene
IARC 2B (Vol. Sup 7, 46, 105) 2014
EPA Substance Registry System 1,8-Dinitropyrene (42397-65-9)
UNSPSC Code 12352100

Safety

Symbol(GHS) Health Hazard (GHS08)
Signal wordWarning
Hazard statements H351
Precautionary statements P280
Hazard Codes  Xn
Risk Statements  40
Safety Statements  22-26-36/37
WGK Germany  3
RTECS  UR2456000
Storage Class 13 - Non Combustible Solids
Hazard Classifications Carc. 2
Hazardous Substances Data 42397-65-9(Hazardous Substances Data)

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1,8-Dinitropyrene Spectrum