3-ACETYLBENZONITRILE

3-ACETYLBENZONITRILE Basic information
Uses
Product Name:3-ACETYLBENZONITRILE
Synonyms:M-CYANOACETOPHENONE;M-ACETYLBENZONITRILE;Benzonitrile, 3-acetyl-;3'-CYANOACETOPHENONE;3-CYANOACETOPHENONE;3-ACETYLBENZONITRILE;3-Acetylbenzonitrile97%;3-acetylbenzonitrile,98%
CAS:6136-68-1
MF:C9H7NO
MW:145.16
EINECS:228-110-6
Product Categories:Aromatic Nitriles;Boron, Nitrile, Thio,& TM-Cpds;Carbonyl Compounds
Mol File:6136-68-1.mol
3-ACETYLBENZONITRILE Structure
3-ACETYLBENZONITRILE Chemical Properties
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.
BRN 2079629
CAS DataBase Reference6136-68-1(CAS DataBase Reference)
Safety Information
Hazard Codes Xn,Xi
Risk Statements 20/21/22-36/37/38
Safety Statements 26-37/39
RIDADR 3439
WGK Germany 3
Hazard Note Harmful/Irritant
TSCA T
HazardClass 6.1
PackingGroup III
HS Code 29269090
MSDS Information
ProviderLanguage
SigmaAldrich English
ACROS English
ALFA English
3-ACETYLBENZONITRILE Usage And Synthesis
Uses3-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.
Chemical PropertiesPale yellowish-orange to brown powder
UsesPreparation 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.
Uses3-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
DefinitionChEBI: 3-Acetylbenzonitrile is an aromatic ketone.
Synthesis Reference(s)Tetrahedron Letters, 28, p. 2053, 1987 DOI: 10.1016/S0040-4039(00)96043-X
3-[(E)-3-(DIMETHYLAMINO)-2-PROPENOYL]BENZENECARBONITRILE 2-(2-BROMOPHENYL)-3'-CYANOACETOPHENONE TRANS-2-(3-CYANOBENZOYL)CYCLOPENTANE-1-CARBOXYLIC ACID 3-CYANO-3'-IODOBENZOPHENONE 3-CYANO-4'-METHOXYBENZOPHENONE AURORA KA-6181 1,4-DIAMINO-2,3-DICYANO-9,10-ANTHRAQUINONE 2-(3-BROMOPHENYL)-3'-CYANOACETOPHENONE 3-CYANO-4'-IODOBENZOPHENONE ETHYL 3-CYANOBENZOYLFORMATE CIS-4-(3-CYANOBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID 7-(3-CYANOPHENYL)-7-OXOHEPTANENITRILE 3'-CYANO-2-PHENYLACETOPHENONE 3-(2-Bromoacetyl)benzonitrile TRANS-4-(3-CYANOBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID 4-(3-CYANOPHENYL)-4-OXOBUTYRONITRILE 4-CYANO-9-FLUORENONE, 99.5+% 3-CYANO-2'-METHOXYBENZOPHENONE

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