6136-68-1
| Name | 3-ACETYLBENZONITRILE |
| CAS | 6136-68-1 |
| EINECS(EC#) | 228-110-6 |
| Molecular Formula | C9H7NO |
| MDL Number | MFCD00001806 |
| Molecular Weight | 145.16 |
| MOL File | 6136-68-1.mol |
Chemical Properties
| Appearance | Pale yellowish-orange to brown powder |
| Melting point | 98-100 °C (lit.) |
| Boiling point | 120 °C (5 mmHg) |
| density | 1.1555 (rough estimate) |
| refractive index | 1.4500 (estimate) |
| Fp | 120°C/5mm |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | 4g/l |
| form | Powder |
| color | Pale yellow-orange to brown |
| Water Solubility | Insoluble in water. |
| Detection Methods | HPLC,NMR |
| BRN | 2079629 |
| InChI | InChI=1S/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H3 |
| InChIKey | SBCFGFDAZCTSRH-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=CC(C(C)=O)=C1 |
| CAS DataBase Reference | 6136-68-1(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |   GHS06,GHS07 |
| Signal word | Warning |
| Hazard statements | H302+H312+H332-H315-H319-H335-H301-H302-H312-H331 |
| Precautionary statements | P304+P340-P501a-P264-P270-P301+P310+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P405-P501-P261-P280-P305+P351+P338 |
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 3439 |
| WGK Germany | 3 |
| Hazard Note | Harmful/Irritant |
| TSCA | T |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29269090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
