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ChemicalBook--->CAS DataBase List--->4594-78-9

4594-78-9

4594-78-9 Structure

4594-78-9 Structure
IdentificationMore
[Name]

2-(BETA-CYANOETHYL)CYCLOHEXANONE
[CAS]

4594-78-9
[Synonyms]

2-(2-CYANETHYL)CYCLOHEXANONE
2-(B-CYANOETHYL)CYCLOHEXANONE
2-(BETA-CYANOETHYL)CYCLOHEXANONE
2-OXO-1-CYCLOHEXANEPROPIONITRILE
2-OXOCYCLOHEXANE-2-PROPIONITRILE
2-OXOCYCLOHEXANEPROPIONITRILE
3-(2-OXOCYCLOHEXYL)PROPANENITRILE
3-(2-OXOCYCLOHEXYL)PROPIONITRILE
TIMTEC-BB SBB005853
2-oxocyclohexanepropiononitrile
3-(2-Oxocyclohexyl)Propanenitr
2-Oxocyclohexanepropanenitrile.
2-OXO-1-CYCLOHEXANEPROPIONITRILE 99+%
2-Oxo-1-cyclohexanepropionitrile ,97%
[EINECS(EC#)]

224-991-6
[Molecular Formula]

C9H13NO
[MDL Number]

MFCD00013797
[Molecular Weight]

151.21
[MOL File]

4594-78-9.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellow to brown liquid
[Melting point ]

61-62 °C
[Boiling point ]

138-142 °C (10 mmHg)
[density ]

1.024 g/mL at 20 °C(lit.)
[refractive index ]

n20/D 1.474
[Fp ]

113℃
[storage temp. ]

2-8°C
[CAS DataBase Reference]

4594-78-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36:Wear suitable protective clothing .
[RIDADR ]

UN3276
[WGK Germany ]

3
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269090
Hazard InformationBack Directory
[Chemical Properties]

clear yellow to brown liquid
[Uses]

2-(2-Cyanethyl)cyclohexanone may be used in the synthesis of 4-keto-nona-1,9-dioic acid by reacting with hydrogen peroxide.
[Synthesis Reference(s)]

Tetrahedron, 22, p. 2059, 1966 DOI: 10.1016/S0040-4020(01)82125-6
[General Description]

2-(2-Cyanethyl)cyclohexanone, also known as 3-(2-oxocyclohexyl)propionitrile, is an α-substituted cyclohexanone. It reacts with BrF3(bromine trifluoride) to form the corresponding oxadecaline.
Spectrum DetailBack Directory
[Spectrum Detail]

2-(BETA-CYANOETHYL)CYCLOHEXANONE(4594-78-9)MS
2-(BETA-CYANOETHYL)CYCLOHEXANONE(4594-78-9)1HNMR
2-(BETA-CYANOETHYL)CYCLOHEXANONE(4594-78-9)13CNMR
2-(BETA-CYANOETHYL)CYCLOHEXANONE(4594-78-9)IR1
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Oxo-1-cyclohexanepropionitrile, 99+%(4594-78-9)
[Alfa Aesar]

2-Oxocyclohexanepropionitrile(4594-78-9)
[Sigma Aldrich]

4594-78-9(sigmaaldrich)
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