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3-ACETYLBENZONITRILE

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CAS:6136-68-1
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CAS:6136-68-1
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CAS:6136-68-1
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  • CAS:6136-68-1
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  • Purity: 98%
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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
InChIInChI=1S/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H3
InChIKeySBCFGFDAZCTSRH-UHFFFAOYSA-N
SMILESC(#N)C1=CC=CC(C(C)=O)=C1
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
ACROS English
SigmaAldrich 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
Tag:3-ACETYLBENZONITRILE(6136-68-1) Related Product Information
Acetophenone Benzonitrile 4-ACETYLBENZONITRILE,P-ACETYLBENZONITRILE 2-ACETYLBENZONITRILE 4-Acetylbenzonitrile 3-(2-Bromoacetyl)benzonitrile 3-ACETYLBENZONITRILE 1,4-DIAMINO-2,3-DICYANO-9,10-ANTHRAQUINONE 6-Cyano-1-indanone 2,3-dihydro-1-oxo-1H-indene-4-carbonitrile 2-(2-BROMOPHENYL)-3'-CYANOACETOPHENONE 3-CYANO-3'-IODOBENZOPHENONE 3-CYANO-4'-IODOBENZOPHENONE 3-CYANO-2'-METHOXYBENZOPHENONE TRANS-2-(3-CYANOBENZOYL)CYCLOPENTANE-1-CARBOXYLIC ACID 3'-CYANO-2-PHENYLACETOPHENONE 3-CYANO-4'-METHOXYBENZOPHENONE 3-[(E)-3-(DIMETHYLAMINO)-2-PROPENOYL]BENZENECARBONITRILE