2-(4-Chlorophenyl)indane-1,3-dione
- Product Name2-(4-Chlorophenyl)indane-1,3-dione
- CAS1146-99-2
- CBNumberCB7238729
- MFC15H9ClO2
- MW256.68
- EINECS214-553-2
- MDL NumberMFCD00239203
- MOL File1146-99-2.mol
- MSDS FileSDS
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 |
| FDA UNII | 541C7WS64R |
| ATC code | B01AA09 |
Safety
| Symbol(GHS) |
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| Signal word | Danger | |||||||||
| Hazard statements | H301-H315-H319-H335 | |||||||||
| Precautionary statements | P280-P301+P310-P362+P364 | |||||||||
| 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) | |||||||||
| NFPA 704: |
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