| Company Name: |
Sigma-Aldrich |
| Tel: |
021-61415566 800-8193336 |
| Email: |
orderCN@merckgroup.com |
| Company Name: |
Energy Chemical |
| Tel: |
021-58432009 400-005-6266 |
| Email: |
marketing@energy-chemical.com |
|
| | 1,3-Dinitropyrene Basic information |
| | 1,3-Dinitropyrene Chemical Properties |
| 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 | | Henry's Law Constant | 6.3×103 mol/(m3Pa) at 25℃, Parnis et al. (2015) | | 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) |
| 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 |
| | 1,3-Dinitropyrene Usage And Synthesis |
| 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. | | Safety Profile | Suspected carcinogen
with experimental carcinogenic data.
Mutation data reported. When heated to
decomposition it emits toxic fumes of NOx |
| | 1,3-Dinitropyrene Preparation Products And Raw materials |
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