4-Bromobenzoylacetonitrile
Synonym(s):p-Bromobenzoylacetonitrile;3-(4-Bromophenyl)-3-oxopropanenitrile;4-Bromo-β-oxo-benzenepropanenitrile
- CAS NO.：4592-94-3
- Empirical Formula: C9H6BrNO
- Molecular Weight: 224.05
- MDL number: MFCD00996063
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-01-13 11:13:29
What is 4-Bromobenzoylacetonitrile?
The Uses of 4-Bromobenzoylacetonitrile
4-Bromobenzoylacetonitrile is a useful research chemical used in the preparation of mechanistic studies, and fluorescence of naphtho[1,8-bc]pyrans via rhodium-catalyzed cascade oxidative annulation of benzoylacetonitriles with internal alkynes.
Purification Methods
The nitrile is purified by dissolving in slightly alkaline H2O (charcoal), filtering and acidifying with HCl to give colourless needles (m 162-163o). It recrystallises from EtOH. With Me2SO4/KOH at 130o it gives 4-bromo-methoxycinnamylnitrile m 58.5-59.5o (from high boiling pet ether) [Fuson & Wolf J Am Chem Soc 61 1940 1939, Grathaus & Dains J Am Chem Soc 58 1334 1936]. [Beilstein 10 III 2998.]
Properties of 4-Bromobenzoylacetonitrile
| Melting point: | 161-163 |
| Boiling point: | 370.0±27.0 °C(Predicted) |
| Density | 1.523±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 7.37±0.10(Predicted) |
| CAS DataBase Reference | 4592-94-3(CAS DataBase Reference) |
Safety information for 4-Bromobenzoylacetonitrile
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. 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-Bromobenzoylacetonitrile
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