2-(3-Benzoylphenyl)propionitrile
- Product Name2-(3-Benzoylphenyl)propionitrile
- CAS42872-30-0
- CBNumberCB6764940
- MFC16H13NO
- MW235.28
- EINECS255-982-5
- MDL NumberMFCD00044435
- MOL File42872-30-0.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 47-53 °C(lit.) |
| Boiling point | 400.8±28.0 °C(Predicted) |
| Density | 1.115±0.06 g/cm3(Predicted) |
| vapor pressure | 10Pa at 20-50℃ |
| Flash point | >230 °F |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | soluble in Methanol |
| form | powder to crystal |
| color | White to Almost white |
| Major Application | pharmaceutical (small molecule) pharmaceutical |
| InChI | InChI=1S/C16H13NO/c1-12(11-17)14-8-5-9-15(10-14)16(18)13-6-3-2-4-7-13/h2-10,12H,1H3 |
| InChIKey | RGYOCHMZSLUCNP-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC(C(C)C#N)=C1)C(=O)C1C=CC=CC=1 |
| CAS DataBase Reference | 42872-30-0(CAS DataBase Reference) |
| FDA UNII | T1XT2245YV |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319-H335 | |||||||||
| Precautionary statements | P261-P305+P351+P338-P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 22-36/37/38 | |||||||||
| Safety Statements | 26-36 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | CY1693000 | |||||||||
| HS Code | 29269090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| NFPA 704: |
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