6952-59-6
| Name | 3-Bromobenzonitrile |
| CAS | 6952-59-6 |
| EINECS(EC#) | 230-127-9 |
| Molecular Formula | C7H4BrN |
| MDL Number | MFCD00001796 |
| Molecular Weight | 182.02 |
| MOL File | 6952-59-6.mol |
Chemical Properties
| Appearance | white to light yellow or beige crystalline mass, |
| Melting point | 38-40 °C(lit.) |
| Boiling point | 225 °C(lit.) |
| density | 1.562 |
| refractive index | 1.5999 (estimate) |
| Fp | >230 °F |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | 0.2g/l |
| form | Crystalline Mass, Crystals or Crystalline Powder |
| color | White to light yellow or beige |
| Water Solubility | Soluble in water (0.2 g/L) |
| BRN | 1858942 |
| InChI | InChI=1S/C7H4BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H |
| InChIKey | STXAVEHFKAXGOX-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=CC(Br)=C1 |
| CAS DataBase Reference | 6952-59-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-Bromobenzoic acid nitrile(6952-59-6) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302+H312+H332-H315-H319-H335 |
| Precautionary statements | P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338 |
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 3276 |
| WGK Germany | 3 |
| RTECS | DI2459500 |
| Hazard Note | Harmful/Irritant |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29269095 |
| Storage Class | 13 - Non Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |