2-(4-Chlorophenyl)indane-1,3-dione
- Product Name2-(4-Chlorophenyl)indane-1,3-dione
- CAS1146-99-2
- MFC15H9ClO2
- MW256.68
- EINECS214-553-2
- MOL File1146-99-2.mol
Chemical Properties
| Melting point | 142-144 |
| Boiling point | 363.31°C (rough estimate) |
| Density | 1.2053 (rough estimate) |
| refractive index | 1.5330 (estimate) |
| storage temp. | 2-8°C |
| solubility | DMSO : ≥ 3 mg/mL (11.69 mM) |
| form | Solid |
| pka | pKa 3.59(H2O t=25.0±0.1 I=0.1) (Uncertain) |
| color | White to off-white |
| InChI | InChI=1S/C15H9ClO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H |
| InChIKey | NJDUWAXIURWWLN-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=CC=C2)C(=O)C1C1=CC=C(Cl)C=C1 |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | 2811 |
| Hazard Note | Irritant |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| HS Code | 2914199090 |
| Toxicity | LD50 orally in mice: 1220 mg/kg (Fontaine) |
