42397-65-9

Name 1,8-DINITROPYRENE
CAS 42397-65-9
Molecular Formula C16H8N2O4
MDL Number MFCD00010495
Molecular Weight 292.25
MOL File 42397-65-9.mol

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
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
IARC 2B (Vol. Sup 7, 46, 105) 2014
EPA Substance Registry System 1,8-Dinitropyrene (42397-65-9)

Safety Data

Hazard Codes  Xn
Risk Statements 
Safety Statements 
WGK Germany  3
RTECS  UR2456000
Storage Class 13 - Non Combustible Solids
Hazard Classifications Carc. 2
Safety Profile
Confirmed carcinogen with experimental carcinogenic data. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx
Hazardous Substances Data 42397-65-9(Hazardous Substances Data)

Hazard Information

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