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| | 1,6-Dinitropyrene Basic information |
| Product Name: | 1,6-Dinitropyrene | | Synonyms: | 1,6-dinitro-pyren;Pyrene, 1,6-dinitro-;1,6-DINITROPYRENE (100UG/ML IN TOLUENE);1,6-DINITROPYRENE MINIMUM 98%;1,6-DINITROPYRENE APPROX. 60%;1,6-Dinitropyrene@100 μg/mL in Toluene;1,6-Dinitropyrene in toluene;1,6-Dinitropyrene | | CAS: | 42397-64-8 | | MF: | C16H8N2O4 | | MW: | 292.25 | | EINECS: | | | Product Categories: | Nitro Compounds;Nitrogen Compounds;Organic Building Blocks | | Mol File: | 42397-64-8.mol |  |
| | 1,6-Dinitropyrene Chemical Properties |
| Melting point | >300 °C(lit.) | | Boiling point | 434.19°C (rough estimate) | | density | 1.2855 (rough estimate) | | refractive index | 1.5800 (estimate) | | storage temp. | −20°C | | Henry's Law Constant | 7.6×104 mol/(m3Pa) at 25℃, HSDB (2015) | | Stability: | Stable. Incompatible with strong oxidizing agents, strong bases. | | InChI | 1S/C16H8N2O4/c19-17(20)13-8-4-10-2-6-12-14(18(21)22)7-3-9-1-5-11(13)16(10)15(9)12/h1-8H | | InChIKey | GUXACCKTQWVTLG-UHFFFAOYSA-N | | SMILES | [O-][N+](=O)c1ccc2ccc3c(ccc4ccc1c2c34)[N+]([O-])=O | | IARC | 2B (Vol. 46, 105) 2014 | | EPA Substance Registry System | 1,6-Dinitropyrene (42397-64-8) |
| Hazard Codes | T | | Risk Statements | 45 | | Safety Statements | 53-36 | | WGK Germany | 3 | | RTECS | UR2455000 | | Storage Class | 6.1D - Non-combustible acute toxic Cat.3
toxic hazardous materials or hazardous materials causing chronic effects | | Hazard Classifications | Carc. 1B | | Hazardous Substances Data | 42397-64-8(Hazardous Substances Data) |
| | 1,6-Dinitropyrene Usage And Synthesis |
| Chemical Properties | solid | | Uses | There is no evidence that 1,6-dinitropyrene has been used for any commercial purpose (IARC 1989). 1,6-Dinitropyrene is available for research purposes at a purity of 98% or higher. It is also available in 14C- or 3H-labeled form at a radiochemical purity of 98% or higher. | | Definition | ChEBI: 1,6-Dinitropyrene is a member of pyrenes. | | General Description | 1,6-Dinitropyrene is a potent mutagenic components of diesel exhaust and air pollutant. 1,6-Dinitropyrene is an extremely potent genotoxicant in metabolically competent primary cultures of human and rat hepatocytes. | | Reactivity Profile | Aromatic nitro compounds, such as 1,6-DINITROPYRENE, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups. | | Health Hazard | ACUTE/CHRONIC HAZARDS: When heated to decomposition, 1,6-DINITROPYRENE emits toxic fumes of NOx. | | Fire Hazard | Flash point data for 1,6-DINITROPYRENE are not available; however 1,6-DINITROPYRENE is probably combustible. | | Safety Profile | Confirmed carcinogen
with experimental carcinogenic data. Human
mutation data reported. When heated to
decomposition it emits toxic fumes of NOx | | Carcinogenicity | 1,6-Dinitropyrene is reasonably anticipated to be a human carcinogen based on sufficient evidence of carcinogenicity from studies in experimental animals. |
| | 1,6-Dinitropyrene Preparation Products And Raw materials |
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