2-CHLOROBENZOYLACETONITRILE
- Product Name2-CHLOROBENZOYLACETONITRILE
- CAS40018-25-5
- CBNumberCB8304546
- MFC9H6ClNO
- MW179.6
- EINECS609-772-9
- MDL NumberMFCD00051624
- MOL File40018-25-5.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 55-59 °C |
| Boiling point | 302.2±22.0 °C(Predicted) |
| Density | 1.2364 (rough estimate) |
| refractive index | 1.5330 (estimate) |
| storage temp. | Sealed in dry,Store in freezer, under -20°C |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 6.41±0.10(Predicted) |
| color | Yellow to Dark Yellow |
| Sensitive | Moisture Sensitive |
| BRN | 2413204 |
| InChI | InChI=1S/C9H6ClNO/c10-8-4-2-1-3-7(8)9(12)5-6-11/h1-4H,5H2 |
| InChIKey | SBSWHTFHLWSSQS-UHFFFAOYSA-N |
| SMILES | C1(C=CC=CC=1Cl)C(=O)CC#N |
| LogP | 0.8 at 30℃ |
| CAS DataBase Reference | 40018-25-5(CAS DataBase Reference) |
Safety
| Symbol(GHS) |
 
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| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319-H301-H335 | |||||||||
| Precautionary statements | P261-P280a-P301+P310a-P305+P351+P338-P405-P501a-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501 | |||||||||
| Hazard Codes | Xn,T,Xi | |||||||||
| Risk Statements | 36/37/38-20/21/22 | |||||||||
| Safety Statements | 36/37/39-26-22 | |||||||||
| RIDADR | 3276 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29269095 | |||||||||
| NFPA 704: |
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