| Identification | More | [Name]
3-ACETYLBENZONITRILE | [CAS]
6136-68-1 | [Synonyms]
3-ACETYLBENZONITRILE
3'-CYANOACETOPHENONE
3-CYANOACETOPHENONE
M-ACETYLBENZONITRILE
M-CYANOACETOPHENONE
Benzonitrile, 3-acetyl-
3-Acetylbenzonitrile97%
3-acetylbenzonitrile,98%
1-Acetyl-3-cyanobenzene
1-Cyano-3-acetylbenzene | [EINECS(EC#)]
228-110-6 | [Molecular Formula]
C9H7NO | [MDL Number]
MFCD00001806 | [Molecular Weight]
145.16 | [MOL File]
6136-68-1.mol |
| Chemical Properties | Back Directory | [Appearance]
Pale yellowish-orange to brown powder | [Melting point ]
98-100 °C (lit.) | [Boiling point ]
120 °C (5 mmHg)
| [density ]
1.1555 (rough estimate) | [refractive index ]
1.4500 (estimate) | [Fp ]
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. | [Detection Methods]
HPLC,NMR | [BRN ]
2079629 | [InChI]
InChI=1S/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H3 | [InChIKey]
SBCFGFDAZCTSRH-UHFFFAOYSA-N | [SMILES]
C(#N)C1=CC=CC(C(C)=O)=C1 | [CAS DataBase Reference]
6136-68-1(CAS DataBase Reference) |
| Questions And Answer | Back Directory | [Uses]
3-Acetylbenzonitrile has been used in the preparation of 3-(hydroxyacetyl)benzonitrile, and 3-(1-(3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)-4-methylphenylimino)ethyl)benzonitrile. |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [RIDADR ]
3439 | [WGK Germany ]
3
| [Hazard Note ]
Harmful/Irritant | [TSCA ]
T | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269090 |
| Hazard Information | Back Directory | [Chemical Properties]
Pale yellowish-orange to brown powder | [Definition]
ChEBI: 3-Acetylbenzonitrile is an aromatic ketone. | [Reactions]
The reaction of 3-Acetylbenzonitrile and substituted benzaldehyde can be used for the synthesis of substituted 3-((E)-3-substituted phenylacryloyl)benzonitriles[1].
 | [Synthesis Reference(s)]
Tetrahedron Letters, 28, p. 2053, 1987 DOI: 10.1016/S0040-4039(00)96043-X | [References]
[1] D. KAMALAKKANNAN . Synthesis and assessment of substituent effect of some 3-((E)-3-substituted phenylacryloyl)benzonitriles[J]. Journal of Molecular Structure, 2022. DOI:10.1016/j.molstruc.2022.133218. |
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