Skip to Content
Merck
CN

Key Documents

View All Documentation

393320

2,4,6-Cycloheptatriene-1-carbonitrile

95%

Sign In to View Organizational & Contract Pricing.

Select a Size

Change View

About This Item

Empirical Formula (Hill Notation):
C8H7N
CAS Number:
13612-59-4
Molecular Weight:
117.15
NACRES:
NA.22
PubChem Substance ID:
24864514
UNSPSC Code:
12352100
MDL number:
MFCD00191965
Assay:
95%
Form:
liquid
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

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.)

functional group

nitrile

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

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.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

185.0 °F - closed cup

flash_point_c

85 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
14613PQ
13304DR
01819KZ

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Diamagnetic susceptibilities and susceptibility exaltations of some 7-substituted cycloheptatrienes.
Childs RF and Pikulik I
Canadian Journal of Chemistry, 55(2), 259-265 (1977)
Magnetic Resonance in Chemistry, 28, 364-364 (1990)
The Flash Photolysis of 1, 3, 5-Cycloheptatriene and Some 7-Substituted Derivatives.
Thrush BA and Zwolenik JJ
Bull. Soc. Chim. Belg., 71(11-12), 642-650 (1962)
View All Related Papers

Global Trade Item Number

SKUGTIN
393320-5G04061837633744