4-Bromophenyl isothiocyanate
- Product Name4-Bromophenyl isothiocyanate
- CAS1985-12-2
- MFC7H4BrNS
- MW214.08
- EINECS628-470-8
- MOL File1985-12-2.mol
Chemical Properties
| Melting point | 56-58 °C (lit.) |
| Boiling point | 144-145 °C (5 mmHg) |
| Density | 1.7158 (rough estimate) |
| refractive index | 1.6070 (estimate) |
| Flash point | >110°C |
| storage temp. | Refrigerator (+4°C) |
| form | powder to crystal |
| color | White to Orange to Green |
| Water Solubility | 11.56mg/L(25 ºC) |
| Sensitive | Moisture Sensitive |
| BRN | 878549 |
| InChI | 1S/C7H4BrNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H |
| InChIKey | XQACWEBGSZBLRG-UHFFFAOYSA-N |
| SMILES | Brc1ccc(cc1)N=C=S |
| CAS DataBase Reference | 1985-12-2(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn,Xi,C |
| Risk Statements | 20/21/22-36/37/38-42 |
| Safety Statements | 22-26-36/37-45 |
| RIDADR | 2811 |
| WGK Germany | 3 |
| RTECS | NX8400000 |
| F | 10-21 |
| Hazard Note | Harmful/Irritant |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29309090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Resp. Sens. 1 Skin Irrit. 2 STOT SE 3 |
