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ChemicalBook--->CAS DataBase List--->13612-59-4

13612-59-4

13612-59-4 Structure

13612-59-4 Structure
IdentificationBack Directory
[Name]

2,4,6-Cycloheptatriene-1-carbonitrile
[CAS]

13612-59-4
[Synonyms]

7-cyanotropilidene
7-cyanocyclohetatriene
7-Cyanocycloheptatriene
1-Cyano-2,4,6-cycloheptatriene
7-Cyano-1,3,5-cycloheptatriene
2,4,6-Cycloheptatrienecarbonitrile
Cyclohepta-2,4,6-trienecarbonitrile
2,4,6-CYCLOHEPTATRIENE-1-CARBONITRILE
1,3,5-Cycloheptatriene-7-carbonitrile
cyclohepta-2,4,6-triene-1-carbonitrile
2,4,6-cycloheptartriene-1-carbonitrile
2,4,6-CYCLOHEPTATRIENE-1-CARBONITRILE 95%
2,4,6-CYCLOHEPTATRIENE-1-CARBONITRILE, 9 5%
2,4,6-Cycloheptatriene-1-carbonitrile
[Molecular Formula]

C8H7N
[MDL Number]

MFCD00191965
[MOL File]

13612-59-4.mol
[Molecular Weight]

117.15
Chemical PropertiesBack Directory
[Boiling point ]

51-53 °C/1.5 mmHg (lit.)
[density ]

1.017 g/mL at 25 °C (lit.)
[refractive index ]

n20/D 1.533(lit.)
[Fp ]

185 °F
[storage temp. ]

2-8°C
[NIST Chemistry Reference]

2,4,6-Cycloheptatriene-1-carbonitrile(13612-59-4)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

20/21/22
[Safety Statements ]

36
[RIDADR ]

NA 1993 / PGIII
[WGK Germany ]

3
[HS Code ]

2926907090
Hazard InformationBack Directory
[Uses]

2,4,6-Cycloheptatriene-1-carbonitrile (7-cyanocycloheptatriene ) may be used in the synthesis of 7-carbomethoxycycloheptatriene. It may be used as model compound for EPR and intramolecular proton transfer studies of cycloheptatriene radicals and anions. It can also be used to generate dihydroazocines and hydrooxocins.
[General Description]

2,4,6-Cycloheptatriene-1-carbonitrile (7-Cyanocycloheptatriene) is a 7-substituted cycloheptatriene. Its synthesis by reacting tropylium cation with cyanide anion has been described. 2,4,6-cycloheptatriene-1-carbonitrile affords toluene or toluonitrile during flash photolysis studies. Its diamagnetic susceptibility has been determined, which is useful for the derivation of its susceptibility exaltation. It reacts with acetyl acetone in the presence of Mn(OAc)3 to form products derived from the norcaradiene structure.
Spectrum DetailBack Directory
[Spectrum Detail]

2,4,6-Cycloheptatriene-1-carbonitrile(13612-59-4)IR
2,4,6-Cycloheptatriene-1-carbonitrile(13612-59-4)Raman
2,4,6-Cycloheptatriene-1-carbonitrile(13612-59-4)FT-IR
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