1,3-Dinitropyrene
- Product Name1,3-Dinitropyrene
- CAS75321-20-9
- CBNumberCB7706842
- MFC16H8N2O4
- MW292.25
- MDL NumberMFCD00010493
- MOL File75321-20-9.mol
- MSDS FileSDS
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 |
| EWG's Food Scores | 1 |
| FDA UNII | D09D9L0924 |
| Proposition 65 List | 1,3-Dinitropyrene |
| IARC | 2B (Vol. 46, 105) 2014 |
| EPA Substance Registry System | 1,3-Dinitropyrene (75321-20-9) |
| UNSPSC Code | 12352100 |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H302+H312+H332 |
| Precautionary statements | P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312 |
| 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 |