625-28-5
| Name | 3-Methylbutanenitrile |
| CAS | 625-28-5 |
| EINECS(EC#) | 210-884-1 |
| Molecular Formula | C5H9N |
| MDL Number | MFCD00001944 |
| Molecular Weight | 83.13 |
| MOL File | 625-28-5.mol |
Chemical Properties
| Melting point | -100.8°C |
| Boiling point | 128-130 °C730 mm Hg(lit.) |
| density | 0.795 g/mL at 25 °C(lit.) |
| refractive index | n |
| Fp | 83 °F |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Liquid |
| color | Clear colorless |
| Dielectric constant | 13.3（23℃） |
| InChI | 1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3 |
| InChIKey | QHDRKFYEGYYIIK-UHFFFAOYSA-N |
| SMILES | CC(C)CC#N |
| LogP | 1.070 |
| Surface tension | 26mN/m at 20°C |
| CAS DataBase Reference | 625-28-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Butanenitrile, 3-methyl-(625-28-5) |
| EPA Substance Registry System | 625-28-5(EPA Substance) |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 1992 3/PG 3 |
| WGK Germany | 3 |
| RTECS | NY1750000 |
| TSCA | TSCA listed |
| HazardClass | 3.2 |
| PackingGroup | III |
| HS Code | 29269095 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 3 Oral Eye Irrit. 2 Flam. Liq. 3 Skin Irrit. 2 STOT SE 3 |