Acetyl isothiocyanate
SIGMA/01230 - ≥97.0% (GC)
CAS Number: 13250-46-9
Empirical Formula (Hill Notation): C3H3NOS
Molecular Weight: 101.13
MDL Number: MFCD01862831
Linear Formula: CH3CON=C=S
Product Type: Chemical
| assay | ≥97.0% (GC) |
| bp | 132-133 °C (lit.) |
| density | 1.151 g/mL at 20 °C (lit.) |
| form | liquid |
| InChI | 1S/C3H3NOS/c1-3(5)4-2-6/h |
| InChI key | VITFJKNVGRZRKB-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CC(=O)N=C=S |
| storage temp. | −20°C |
| Symbol |   GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H301 + H311 + H331 - H315 - H319 - H334 - H335 |
| Precautionary statements | P261 - P280 - P301 + P310 - P302 + P352 + P312 - P304 + P340 + P311 - P305 + P351 + P338 |
| Hazard Codes | T |
| Risk Statements | 14-23/24/25-36/37/38-42 |
| Safety Statements | 23-26-36/37/39-45 |
| RIDADR | UN 2810 6.1 / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Supplemental Hazard Statements | EUH014 |
| Purity | ≥97.0% (GC) |
| bp | 132-133 °C (lit.) |
| Density | 1.151 g/mL at 20 °C (lit.) |
| Refractive Index | n |
| Storage Temp. | −20°C |
| UNSPSC | 12352106 |