623-00-7
| Name | 4-Bromobenzonitrile |
| CAS | 623-00-7 |
| EINECS(EC#) | 210-764-9 |
| Molecular Formula | C7H4BrN |
| MDL Number | MFCD00001811 |
| Molecular Weight | 182.02 |
| MOL File | 623-00-7.mol |
Chemical Properties
| Appearance | white to light yellow powder or flakes |
| Melting point | 110-115 °C(lit.) |
| Boiling point | 235-237 °C(lit.) |
| density | 1,562 g/cm3 |
| refractive index | 1.5999 (estimate) |
| Fp | 130°C |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | 0.2g/l |
| form | Powder or Flakes |
| color | White to light yellow or flakes |
| Water Solubility | Very slightly soluble in water(0.2g/L). Soluble in alcohol and ether. |
| Detection Methods | HPLC,NMR |
| BRN | 2041518 |
| InChI | 1S/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H |
| InChIKey | HQSCPPCMBMFJJN-UHFFFAOYSA-N |
| SMILES | Brc1ccc(cc1)C#N |
| LogP | 2.3 at 22.5℃ and pH7 |
| CAS DataBase Reference | 623-00-7(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Bromobenzoic acid nitrile(623-00-7) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302+H312-H319-H412 |
| Precautionary statements | P264-P273-P280-P301+P312-P302+P352+P312-P305+P351+P338 |
| Hazard Codes | Xn,T,Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 3439 6.1/PG 3 |
| WGK Germany | 2 |
| RTECS | DI2460000 |
| Hazard Note | Toxic/Irritant |
| REACH Registrations | Active |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29269095 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Oral Aquatic Chronic 3 Eye Irrit. 2 |
