Benzoylacetonitrile
- Product NameBenzoylacetonitrile
- CAS614-16-4
- CBNumberCB6329992
- MFC9H7NO
- MW145.16
- EINECS210-369-1
- MDL NumberMFCD00001942
- MOL File614-16-4.mol
Chemical Properties
| Melting point: | 82-83 °C (lit.) |
| Boiling point: | 160 °C/10 mmHg (lit.) |
| Density | 1.1555 (rough estimate) |
| refractive index | 1.4500 (estimate) |
| Flash point: | 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 |
| 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) |
| NIST Chemistry Reference | «alpha»-Cyanoacetophenone(614-16-4) |
| EPA Substance Registry System | Benzenepropanenitrile, .beta.-oxo- (614-16-4) |
Safety
| Symbol(GHS) |
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| 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 | |||||||||
| target organs | Respiratory system | |||||||||
| PPE | dust mask type N95 (US), Eyeshields, Gloves | |||||||||
| Hazard Codes | Xn,Xi | |||||||||
| Risk Statements | 20/21/22-36/37/38 | |||||||||
| Safety Statements | 26-36-36/37/39-22 | |||||||||
| RIDADR | 3276 | |||||||||
| WGK Germany | 3 | |||||||||
| Hazard Note | Harmful/Irritant | |||||||||
| TSCA | TSCA listed | |||||||||
| 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 |
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| Limited Quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) | |||||||||
| NFPA 704: |
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