4-Bromo-2-chlorobenzonitrile
- CAS NO.：154607-01-9
- Empirical Formula: C7H3BrClN
- Molecular Weight: 216.46
- MDL number: MFCD00040883
- EINECS: 679-039-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-05-09 09:30:38
What is 4-Bromo-2-chlorobenzonitrile?
Chemical properties
off-white crystalline
The Uses of 4-Bromo-2-chlorobenzonitrile
Used as a intermediate in organic synthesis and a ligand in transition metal complexes.
Synthesis
4-Bromo-2-chlorobenzonitrile is prepared by a two-step reaction of reacting 4-bromo-2-chlorobenzaldehyde and sodium cyanide in aqueous solution.
Properties of 4-Bromo-2-chlorobenzonitrile
| Melting point: | 67-68°C |
| Boiling point: | 142-143°C 10mm |
| Density | 1.74±0.1 g/cm3(Predicted) |
| Flash point: | 142-143°C/10mm |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | soluble in Methanol |
| form | powder to crystal |
| color | White to Almost white |
| BRN | 3240885 |
| InChI | InChI=1S/C7H3BrClN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H |
| CAS DataBase Reference | 154607-01-9(CAS DataBase Reference) |
Safety information for 4-Bromo-2-chlorobenzonitrile
| Signal word | Danger |
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H311:Acute toxicity,dermal H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H332:Acute toxicity,inhalation |
| Precautionary Statement Codes |
P309:IF exposed or if you feel unwell: P310:Immediately call a POISON CENTER or doctor/physician. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 4-Bromo-2-chlorobenzonitrile
| InChIKey | AYQBMZNSJPVADT-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(Br)C=C1Cl |
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