| Identification | More | [Name]
4-ACETYLBENZONITRILE | [CAS]
1443-80-7 | [Synonyms]
4-ACETYLBENZONITRILE
4'-CYANOACETOPHENONE
4-CYANOACETOPHENONE
AKOS 90467
P-ACETYLBENZONITRILE
P-CYANOACETOPHENONE
4'-Cyanoacetophenonele
4-Cyanophenyl methyl ketone
4-Cyanophenylmethylketone
Benzonitrile, p-acetyl-
Benzonitrile,4-acetyl-
Benzonitrile,p-acetyl-
Methylp-cyanophenylketone
Paracyanoacetophenone
p-Cyanacetophenon
4'-Cyanoacetophenone 4-Acetylbenzonitrile p-Cyanoacetophenone
4-Acetylbenzonitrile99%
4-Acetylbenzonitrile, 98+%
4-ACETYLBENZONITRILE/4-CYANOACETOPHENONE | [EINECS(EC#)]
215-885-0 | [Molecular Formula]
C9H7NO | [MDL Number]
MFCD00001825 | [Molecular Weight]
145.16 | [MOL File]
1443-80-7.mol |
| Chemical Properties | Back Directory | [Appearance]
light yellow to yellow-beige crystalline mass or crystalline powder and chunks | [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) | [Fp ]
95-96°C/14mm | [storage temp. ]
0-6°C | [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 | [InChI]
InChI=1S/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H3 | [InChIKey]
NLPHXWGWBKZSJC-UHFFFAOYSA-N | [SMILES]
C(#N)C1=CC=C(C(C)=O)C=C1 | [LogP]
1.531 at 25℃ | [CAS DataBase Reference]
1443-80-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S22:Do not breathe dust . | [RIDADR ]
3276 | [WGK Germany ]
3
| [Hazard Note ]
Harmful/Irritant | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269090 |
| Hazard Information | Back Directory | [Chemical Properties]
light yellow to yellow-beige crystalline mass or crystalline powder and chunks | [Uses]
4-Acetylbenzonitrile can be used in the preparation of antimalarial isonitriles.
| [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]
Notclassified | [Purification Methods]
Recrystallise the nitrile from EtOH [Wagner et al. J Am Chem Soc 108 7727 1986]. [Beilstein 10 H 695, 10 III 3030.] |
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