4'-tert-Butyl-4-chlorobutyrophenone
- CAS NO.：43076-61-5
- Empirical Formula: C14H19ClO
- Molecular Weight: 238.75
- MDL number: MFCD00018996
- EINECS: 256-077-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-13 11:39:26
What is 4'-tert-Butyl-4-chlorobutyrophenone?
Chemical properties
White to very slightly yellow powder
The Uses of 4'-tert-Butyl-4-chlorobutyrophenone
1-(4-tert-Butylphenyl)-4-chloro-1-butanone, is the starting material in the synthesis of Terfenadine (T114500).
Properties of 4'-tert-Butyl-4-chlorobutyrophenone
| Melting point: | 47-49 °C(lit.) |
| Boiling point: | 152 °C (1 mmHg) |
| Density | 1.0292 (rough estimate) |
| refractive index | 1.5260 (estimate) |
| Flash point: | 152-155°C/1mm |
| storage temp. | Inert atmosphere,Room Temperature |
| solubility | soluble in Methanol |
| form | powder to crystal |
| color | White to Light yellow |
| BRN | 780343 |
| InChI | InChI=1S/C14H19ClO/c1-14(2,3)12-8-6-11(7-9-12)13(16)5-4-10-15/h6-9H,4-5,10H2,1-3H3 |
| CAS DataBase Reference | 43076-61-5(CAS DataBase Reference) |
Safety information for 4'-tert-Butyl-4-chlorobutyrophenone
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H317:Sensitisation, Skin H318:Serious eye damage/eye irritation H319:Serious eye damage/eye irritation H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. 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'-tert-Butyl-4-chlorobutyrophenone
| InChIKey | RLKSQLJFGCDUOX-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(C(C)(C)C)C=C1)(=O)CCCCl |
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