| Identification | Back Directory | [Name]
1,3-DINITROPYRENE | [CAS]
75321-20-9 | [Synonyms]
1,3-dinitro-pyren
1,9-Dinitropyrene
1,3-DINITROPYRENE
Pyrene, 1,3-dinitro-
1,3-Dinitropyrene@100 μg/mL in Toluene | [Molecular Formula]
C16H8N2O4 | [MDL Number]
MFCD00010493 | [MOL File]
75321-20-9.mol | [Molecular Weight]
292.25 |
| Chemical Properties | Back Directory | [Melting point ]
275°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, yellow to orange | [form ]
Solid | [color ]
Yellow to Dark Yellow | [InChI]
1S/C16H8N2O4/c19-17(20)13-8-14(18(21)22)12-7-5-10-3-1-2-9-4-6-11(13)16(12)15(9)10/h1-8H | [InChIKey]
KTNUVDBUEAQUON-UHFFFAOYSA-N | [SMILES]
[O-][N+](=O)c1cc([N+]([O-])=O)c2ccc3cccc4ccc1c2c34 | [IARC]
2B (Vol. 46, 105) 2014 | [EPA Substance Registry System]
1,3-Dinitropyrene (75321-20-9) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
20/21/22 | [Safety Statements ]
36 | [WGK Germany ]
3
| [RTECS ]
UR2454000
| [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral | [Safety Profile]
Suspected carcinogen
with experimental carcinogenic data.
Mutation data reported. When heated to
decomposition it emits toxic fumes of NOx |
| Hazard Information | Back Directory | [Uses]
1,3-Dinitropyrene has been used in:
- modification of the umu-assay (ISO 13829) to assess the cytotoxic potential of toxins
- in vitro synthesis of 1,N6-etheno-2′-deoxyadenosine and 1,N2-etheno-2′-deoxyguanosine
| [Definition]
ChEBI: 1,3-Dinitropyrene is a member of pyrenes. | [General Description]
The carcinogenecity of 1,3-dinitropyrene was studied in newborn female rats. |
|
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