4-Chlorochalcone
- CAS NO.：956-04-7
- Empirical Formula: C15H11ClO
- Molecular Weight: 242.7
- MDL number: MFCD00016345
- EINECS: 213-476-1
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-06-26 08:28:20
What is 4-Chlorochalcone?
Definition
ChEBI: A member of the class of chalcones that is trans-chalcone substituted by a chloro group at position 4.
Synthesis Reference(s)
Tetrahedron Letters, 28, p. 4541, 1987 DOI: 10.1016/S0040-4039(00)96558-4
General Description
4-Chlorochalcone is a chalcone derivative. Its crystals exhibit monoclinic system with space group P21/c. It can undergo conjugate addition reaction with pyrrole in the presence of AlKIT-5 (mesoporous 3D aluminosilicate catalyst) to form the corresponding C2-alkylated pyrrole derivatives.
Properties of 4-Chlorochalcone
| Melting point: | 113-117 °C (lit.) |
| Boiling point: | 345.7°C (rough estimate) |
| Density | 1.1255 (rough estimate) |
| refractive index | 1.5220 (estimate) |
| BRN | 1105953 |
| CAS DataBase Reference | 956-04-7(CAS DataBase Reference) |
Safety information for 4-Chlorochalcone
| 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. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
Computed Descriptors for 4-Chlorochalcone
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