29252
Cyclohexene-1-carbonitrile
≥97.0%
Synonym(s):
1-Cyanocyclohexene
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About This Item
Empirical Formula (Hill Notation):
C7H9N
CAS Number:
Molecular Weight:
107.15
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
217-454-2
Beilstein/REAXYS Number:
385837
MDL number:
Assay:
≥97.0%
Quality Level
assay
≥97.0%
density
0.946 g/mL at 20 °C (lit.)
functional group
nitrile
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.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
10 - Combustible liquids
wgk
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
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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)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 389439-1G | 04061831970852 |
| 389439-10G | 04061831970791 |
| 29252-10ML | 04061836826246 |