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393320

Sigma-Aldrich

2,4,6-Cycloheptatriene-1-carbonitrile

95%

Empirical Formula (Hill Notation):
C8H7N
CAS Number:
Molecular Weight:
117.15
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

95%

form

liquid

refractive index

n20/D 1.533 (lit.)

bp

51-53 °C/1.5 mmHg (lit.)

density

1.017 g/mL at 25 °C (lit.)

SMILES string

N#CC1C=CC=CC=C1

InChI

1S/C8H7N/c9-7-8-5-3-1-2-4-6-8/h1-6,8H

InChI key

LADCKIXFXIKHQM-UHFFFAOYSA-N

Related Categories

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.

Application

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.

Packaging

5 g in glass bottle

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

185.0 °F - closed cup

Flash Point(C)

85 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

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Certificate of Origin

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