4-Acetylbenzonitrile
Synonym(s):4′-Cyanoacetophenone
- CAS NO.：1443-80-7
- Empirical Formula: C9H7NO
- Molecular Weight: 145.16
- MDL number: MFCD00001825
- EINECS: 215-885-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-11 17:44:06
What is 4-Acetylbenzonitrile?
Chemical properties
light yellow to yellow-beige crystalline mass or crystalline powder and chunks
The Uses of 4-Acetylbenzonitrile
4-Acetylbenzonitrile can be used in the preparation of antimalarial isonitriles.
The Uses of 4-Acetylbenzonitrile
4-Acetylbenzonitrile is used in the preparation of antimalarial isonitriles. It is also used for synthetic API such as anesthetic agents and anti-allergic agents.
Synthesis Reference(s)
The Journal of Organic Chemistry, 44, p. 1613, 1979 DOI: 10.1021/jo01324a006
Tetrahedron Letters, 28, p. 1345, 1987 DOI: 10.1016/S0040-4039(00)95366-8
General Description
The relaxation-assisted two-dimensional infrared (RA 2DIR) spectroscopy of 4-acetylbenzonitrile was analyzed.
Flammability and Explosibility
Not classified
Purification Methods
Recrystallise the nitrile from EtOH [Wagner et al. J Am Chem Soc 108 7727 1986]. [Beilstein 10 H 695, 10 III 3030.]
Properties of 4-Acetylbenzonitrile
| Melting point: | 56-59 °C(lit.) |
| Boiling point: | 95-96°C 14mm |
| Density | 1.1555 (rough estimate) |
| vapor pressure | 0.856Pa at 25℃ |
| refractive index | 1.4500 (estimate) |
| Flash point: | 95-96°C/14mm |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| solubility | Chloroform |
| form | Crystalline Mass or Crystalline Powder and Chunks |
| color | Light yellow to yellow-beige |
| Water Solubility | Soluble in chloroform. Insoluble in water. |
| BRN | 1932887 |
| CAS DataBase Reference | 1443-80-7(CAS DataBase Reference) |
Safety information for 4-Acetylbenzonitrile
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
Computed Descriptors for 4-Acetylbenzonitrile
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