49157
2-(2-Cyanethyl)cyclohexanone
≥97.0%
Synonym(s):
2-Oxocyclohexane-2-propionitrile, 3-(2-Oxocyclohexyl)propionitrile
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About This Item
Empirical Formula (Hill Notation):
C9H13NO
CAS Number:
Molecular Weight:
151.21
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
224-991-6
MDL number:
Assay:
≥97.0%
InChI key
SPTVCXKSSRBTMN-UHFFFAOYSA-N
InChI
1S/C9H13NO/c10-7-3-5-8-4-1-2-6-9(8)11/h8H,1-6H2
SMILES string
O=C1CCCCC1CCC#N
assay
≥97.0%
refractive index
n20/D 1.474
density
1.024 g/mL at 20 °C (lit.)
General description
2-(2-Cyanethyl)cyclohexanone, also known as 3-(2-oxocyclohexyl)propionitrile, is an α-substituted cyclohexanone. It reacts with BrF3(bromine trifluoride) to form the corresponding oxadecaline.
Application
2-(2-Cyanethyl)cyclohexanone may be used in the synthesis of 4-keto-nona-1,9-dioic acid by reacting with hydrogen peroxide.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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Katritzky AR and Talyor RJK
Comprehensive Organic Functional Group Transformations II, 2986-2986 (2004)
Purich DL
Enzyme Kinetics and Mechanism, Part F, 354, 109-109 (2002)
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