614-16-4
| Name | Benzoylacetonitrile |
| CAS | 614-16-4 |
| EINECS(EC#) | 210-369-1 |
| Molecular Formula | C9H7NO |
| MDL Number | MFCD00001942 |
| Molecular Weight | 145.16 |
| MOL File | 614-16-4.mol |
Chemical Properties
| Appearance | LIGHT YELLOW TO YELLOW-BROWN CRYSTALLINE POWDER |
| Melting point | 82-83 °C (lit.) |
| Boiling point | 160 °C/10 mmHg (lit.) |
| density | 1.1555 (rough estimate) |
| refractive index | 1.4500 (estimate) |
| Fp | 159-160°C/10mm |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 7.78±0.10(Predicted) |
| color | Yellow to Dark Beige |
| Water Solubility | slightly soluble |
| Usage | Used as a building block for the preparation of 4H-pyrans, 2-pyridones, furans and carbocyclics |
| BRN | 386745 |
| Exposure limits | NIOSH: IDLH 25 mg/m3 |
| InChI | 1S/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2 |
| InChIKey | ZJRCIQAMTAINCB-UHFFFAOYSA-N |
| SMILES | O=C(CC#N)c1ccccc1 |
| CAS DataBase Reference | 614-16-4(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302+H312+H332-H315-H319-H335 |
| Precautionary statements | P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338 |
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 3276 |
| WGK Germany | 3 |
| Hazard Note | Harmful/Irritant |
| TSCA | Yes |
| HazardClass | IRRITANT |
| PackingGroup | III |
| HS Code | 29269090 |
| 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 |
