| Identification | Back Directory | [Name]
1,8-DINITROPYRENE | [CAS]
42397-65-9 | [Synonyms]
1,8-DINITROPYRENE
1,8-dinitro-pyren
Pyrene, 1,8-dinitro-
Rizatriptan Impurity G
1,8-Dinitropyrene@100 μg/mL in Toluene
1,8-DINITROPYRENE (100UG/ML IN TOLUENE) | [Molecular Formula]
C16H8N2O4 | [MDL Number]
MFCD00010495 | [MOL File]
42397-65-9.mol | [Molecular Weight]
292.25 |
| Chemical Properties | Back Directory | [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 | Back Directory | [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 | [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 | Back Directory | [Chemical Properties]
1,8-Dinitropyrene is a nitro-substituted polycyclic aromatic hydrocarbon that exists at room temperature as a yellow fluffy or light-brown crystalline solid (IARC 1989). It has a molecular weight of 292.3 and a melting point of over 300°C (HSDB 2009). | [Uses]
1,8-Dinitropyrene has been reported to be a photosensitizer; however,there is no evidence that it has ever been used commercially for this or any other purpose (IARC 1989). 1,8-Dinitropyrene is available for research purposes at a purity of at least 99% and in 14C- or 3H-labeled form at a radiochemical purity of at least 98%. | [Uses]
1,8-Dinitropyrene is one of the major mutagens found in contaminated sediments. Also a potential human carcinogen. | [Definition]
ChEBI: 1,8-Dinitropyrene is a member of pyrenes. | [General Description]
The photodecomposition of environmental contaminant, 1,8-dinitropyrene via exposure to light (≥ 310nm) either in DMSO, or following coating onto silica has been investigated. 1,8-Dinitropyrene is a potent mutagenic component of diesel exhaust and air pollutant. | [Carcinogenicity]
1,8-Dinitropyrene is reasonably anticipated to be a human carcinogen based on sufficient evidence of carcinogenicity from studies in experimental animals. |
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Inventichem
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Energy Chemical
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BOC Sciences
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Sigma-Aldrich
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BOC Sciences
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