2253-73-8
| Name | Isopropyl isothiocyanate |
| CAS | 2253-73-8 |
| EINECS(EC#) | 218-851-3 |
| Molecular Formula | C4H7NS |
| MDL Number | MFCD00037830 |
| Molecular Weight | 101.17 |
| MOL File | 2253-73-8.mol |
Chemical Properties
| Melting point | 168-170 °C |
| Boiling point | 29-30 °C/10 mmHg (lit.) |
| density | 0.948 g/mL at 25 °C(lit.) |
| FEMA | 4425 | ISOPROPYL ISOTHIOCYANATE |
| refractive index | n |
| Fp | 104 °F |
| storage temp. | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| form | clear liquid |
| color | Colorless to Light orange to Yellow |
| Specific Gravity | 0.95 |
| Odor | at 0.01 % in propylene glycol. pungent mustard |
| Odor Type | alliaceous |
| Water Solubility | Miscible with methanol. Hydrolyzes in water. |
| Sensitive | Moisture Sensitive |
| JECFA Number | 1888 |
| BRN | 1739163 |
| InChI | 1S/C4H7NS/c1-4(2)5-3-6/h4H,1-2H3 |
| InChIKey | VHBFEIBMZHEWSX-UHFFFAOYSA-N |
| SMILES | CC(C)N=C=S |
Safety Data
| Hazard Codes | Xi,T |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 1993 3/PG 3 |
| WGK Germany | 3 |
| REACH Registrations | Active |
| HazardClass | 8 |
| PackingGroup | III |
| HS Code | 29309090 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Eye Irrit. 2 Flam. Liq. 3 Skin Irrit. 2 STOT SE 3 |