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29252

Sigma-Aldrich

Cyclohexene-1-carbonitrile

≥97.0%

Synonym(s):

1-Cyanocyclohexene

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About This Item

Empirical Formula (Hill Notation):
C7H9N
CAS Number:
1855-63-6
Molecular Weight:
107.15
Beilstein/REAXYS Number:
385837
EC Number:
217-454-2
MDL number:
MFCD00013772
UNSPSC Code:
12352100
PubChem Substance ID:
57648352
NACRES:
NA.22

assay

≥97.0%

refractive index

n20/D 1.482 (lit.)

density

0.946 g/mL at 20 °C (lit.)

SMILES string

N#CC1=CCCCC1

InChI

1S/C7H9N/c8-6-7-4-2-1-3-5-7/h4H,1-3,5H2

InChI key

GTMWGXABXQTZRJ-UHFFFAOYSA-N

General description

Irradiation of cyclohexene-1-carbonitrile with the full arc of Hanovia 450-W lamp yields bicycle[3.1.0]hexane-1-carbonitrile. Photochemistry of cyclohexene-1-carbonitrile has been investigated.

Application

Cyclohexene-1-carbonitrile has been used in the preparation of cyclohexene-1-carboxylic acid.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

181.4 °F - closed cup

flash_point_c

83 °C - closed cup

ppe

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

Certificates of Analysis (COA)

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Preparation and photochemistry of cyclohexene-1-carbonitriles.
McCullough JJ and Manning C.
The Journal of Organic Chemistry, 43(14), 2839-2842 (1978)
Aromatization of cyclohexanecarboxylic acid.
B M Babior et al.
The Journal of biological chemistry, 241(16), 3643-3651 (1966-08-25)

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