4-OXO-4-PYREN-1-YL-BUTYRIC ACID
- Product Name4-OXO-4-PYREN-1-YL-BUTYRIC ACID
- CAS7499-60-7
- MFC20H14O3
- MW302.32
- EINECS231-354-6
- MOL File7499-60-7.mol
Chemical Properties
| Melting point | 184 °C (dec.)(lit.) |
| Boiling point | 383.36°C (rough estimate) |
| Density | 1.2559 (rough estimate) |
| refractive index | 1.4618 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 4.53±0.17(Predicted) |
| Appearance | White to yellow Solid |
| InChI | 1S/C20H14O3/c21-17(10-11-18(22)23)15-8-6-14-5-4-12-2-1-3-13-7-9-16(15)20(14)19(12)13/h1-9H,10-11H2,(H,22,23) |
| InChIKey | AAJQTWWVKREOQP-UHFFFAOYSA-N |
| SMILES | OC(=O)CCC(=O)c1ccc2ccc3cccc4ccc1c2c34 |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 20/21/22-36/37/38 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
