4-FLUOROBENZOYLACETONITRILE
Synonym(s):3-Oxo-3-(4-fluorophenyl)propionitrile;4-Fluoro-γ-oxobenzenepropanenitrile;4-Fluorophenacyl cyanide
- CAS NO.：4640-67-9
- Empirical Formula: C9H6FNO
- Molecular Weight: 163.15
- MDL number: MFCD00662062
- EINECS: 627-421-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-10-23 11:10:09
What is 4-FLUOROBENZOYLACETONITRILE?
Chemical properties
White to light brown solid
The Uses of 4-FLUOROBENZOYLACETONITRILE
4-Fluorobenzoylacetonitrile is used as a reagent in the synthesis of Blonanserin (B595850); a 5-HT2 serotonin receptor and D2 dopamine receptor antagonist, used as an antipsychotic. 4-Fluorobenzoylacetonitrile is also used in the preparation of pyrazolopyrimidines as potential antimicrobial and antioxidant agents.
Properties of 4-FLUOROBENZOYLACETONITRILE
| Melting point: | 84-88 °C |
| Boiling point: | 311.9±22.0 °C(Predicted) |
| Density | 1?+-.0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Soluble in dimethylformamide, dimethyl sulfoxide. |
| form | Solid |
| pka | 7.67±0.10(Predicted) |
| color | Yellow |
| λmax | 247nm(EtOH)(lit.) |
| CAS DataBase Reference | 4640-67-9(CAS DataBase Reference) |
Safety information for 4-FLUOROBENZOYLACETONITRILE
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral 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. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. 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-FLUOROBENZOYLACETONITRILE
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