Benzyl thiocyanate
- Product NameBenzyl thiocyanate
- CAS3012-37-1
- MFC8H7NS
- MW149.21
- EINECS221-144-2
- MOL File3012-37-1.mol
Chemical Properties
| Melting point | 39-41 °C (lit.) 39-41 °C |
| Boiling point | 230-235 °C (lit.) |
| Density | 1.32 |
| refractive index | 1.6000 (estimate) |
| Flash point | >230 °F |
| storage temp. | Store at <= 20°C. |
| solubility | diethyl ether: soluble0.5g/10 mL, clear to very faintly turbid, colorless to almost colorless |
| form | Solid |
| color | Orange-red crystals or solid |
| Water Solubility | insoluble |
| Sensitive | Moisture Sensitive |
| BRN | 1859726 |
| InChI | 1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2 |
| InChIKey | ABNDFSOIUFLJAH-UHFFFAOYSA-N |
| SMILES | N#CSCc1ccccc1 |
| CAS DataBase Reference | 3012-37-1(CAS DataBase Reference) |
| NIST Chemistry Reference | Thiocyanic acid benzyl ester(3012-37-1) |
| EPA Substance Registry System | Thiocyanic acid, phenylmethyl ester (3012-37-1) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 20/21/22-32 |
| Safety Statements | 13-36/37-50A |
| RIDADR | UN 1759 8/PG 2 |
| WGK Germany | 3 |
| RTECS | XK8155000 |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29309070 |
| Storage Class | 8A - Combustible corrosive hazardous materials |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Aquatic Chronic 3 |
| Toxicity | LDLo ipr-rat: 40 mg/kg ARZNAD 16,870,66ipr-mus LD50:17 mg/kg PCBPBS 2,95,72scu-mus LD50:100 mg/kg JJPAAZ 3,99,54 |
