3-ACETYLBENZONITRILE
Synonym(s):3′-Cyanoacetophenone
- CAS NO.：6136-68-1
- Empirical Formula: C9H7NO
- Molecular Weight: 145.16
- MDL number: MFCD00001806
- EINECS: 228-110-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-10 16:19:30
What is 3-ACETYLBENZONITRILE?
Chemical properties
Pale yellowish-orange to brown powder
The Uses of 3-ACETYLBENZONITRILE
Preparation of (q2-2-Acetyl-4-cyanophenyl)tetra- carbonylmanganese by Reaction of 3-Acetylbenzonitrile with Benzylpentacarbonylmanganese. Four aromatic amidoximes were synthesized by reacting hydroxylamine with 1,3 -dicyanobenzene, 1,4- dicyanobenzene, 3-acetylbenzonitrile, and 4-acetylbenzonitrile. Darzens condensation of 3-acetylbenzonitrile provided aldehyde.
The Uses of 3-ACETYLBENZONITRILE
3-Acetylbenzonitrile has been used in the preparation of:
- 3-(hydroxyacetyl)benzonitrile
- 3-(1-(3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)-4-methylphenylimino)ethyl)benzonitrile
Definition
ChEBI: 3-Acetylbenzonitrile is an aromatic ketone.
Synthesis Reference(s)
Tetrahedron Letters, 28, p. 2053, 1987 DOI: 10.1016/S0040-4039(00)96043-X
Properties of 3-ACETYLBENZONITRILE
| Melting point: | 98-100 °C (lit.) |
| Boiling point: | 120 °C (5 mmHg) |
| Density | 1.1555 (rough estimate) |
| refractive index | 1.4500 (estimate) |
| Flash point: | 120°C/5mm |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | 4g/l |
| form | Powder |
| color | Pale yellow-orange to brown |
| Water Solubility | Insoluble in water. |
| BRN | 2079629 |
| InChI | InChI=1S/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H3 |
| CAS DataBase Reference | 6136-68-1(CAS DataBase Reference) |
Safety information for 3-ACETYLBENZONITRILE
| Signal word | Warning |
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H302:Acute toxicity,oral H312:Acute toxicity,dermal H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H331:Acute toxicity,inhalation 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. P280:Wear protective gloves/protective clothing/eye protection/face protection. 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. P501:Dispose of contents/container to..… |
Computed Descriptors for 3-ACETYLBENZONITRILE
| InChIKey | SBCFGFDAZCTSRH-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=CC(C(C)=O)=C1 |
3-ACETYLBENZONITRILE manufacturer
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