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2-(beta-Cyanoethyl)cyclohexanone

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2-(beta-Cyanoethyl)cyclohexanone manufacturers

2-(beta-Cyanoethyl)cyclohexanone Basic information
Product Name:2-(beta-Cyanoethyl)cyclohexanone
Synonyms:TIMTEC-BB SBB005853;2-(2-CYANETHYL)CYCLOHEXANONE;2-(B-CYANOETHYL)CYCLOHEXANONE;2-OXO-1-CYCLOHEXANEPROPIONITRILE;2-OXOCYCLOHEXANEPROPIONITRILE;2-OXOCYCLOHEXANE-2-PROPIONITRILE;3-(2-OXOCYCLOHEXYL)PROPANENITRILE;3-(2-OXOCYCLOHEXYL)PROPIONITRILE
CAS:4594-78-9
MF:C9H13NO
MW:151.21
EINECS:224-991-6
Product Categories:Ring Systems
Mol File:4594-78-9.mol
2-(beta-Cyanoethyl)cyclohexanone Structure
2-(beta-Cyanoethyl)cyclohexanone Chemical Properties
Melting point 61-62 °C
Boiling point 138-142 °C (10 mmHg)
density 1.024 g/mL at 20 °C(lit.)
refractive index n20/D 1.474
Fp 113℃
storage temp. 2-8°C
AppearanceColorless to light yellow Liquid
InChI1S/C9H13NO/c10-7-3-5-8-4-1-2-6-9(8)11/h8H,1-6H2
InChIKeySPTVCXKSSRBTMN-UHFFFAOYSA-N
SMILESO=C1CCCCC1CCC#N
CAS DataBase Reference4594-78-9(CAS DataBase Reference)
Safety Information
Hazard Codes Xn
Risk Statements 20/21/22
Safety Statements 36
RIDADR UN3276
WGK Germany 3
HazardClass 6.1
PackingGroup III
HS Code 29269090
Storage Class10 - Combustible liquids
Hazard ClassificationsAcute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
2-(beta-Cyanoethyl)cyclohexanone Usage And Synthesis
Chemical Propertiesclear yellow to brown liquid
Uses2-(2-Cyanethyl)cyclohexanone may be used in the synthesis of 4-keto-nona-1,9-dioic acid by reacting with hydrogen peroxide.
Synthesis Reference(s)Tetrahedron, 22, p. 2059, 1966 DOI: 10.1016/S0040-4020(01)82125-6
General Description2-(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.
2-(beta-Cyanoethyl)cyclohexanone Preparation Products And Raw materials
Tag:2-(beta-Cyanoethyl)cyclohexanone(4594-78-9) Related Product Information
Sodium-2-(cyanoethyl)cyclohexane-dionate 2-(beta-Cyanoethyl)-cyclohexanone 97% 2-(2,4-Dichlorophenyl)-6,6-dimethyl-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile 2-(4-Chlorophenyl)-6,6-dimethyl-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile 6,6-Dimethyl-2-(2-nitrophenyl)-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile 2-(4-Methoxyphenyl)-6,6-dimethyl-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile 6,6-Dimethyl-2-(4-nitrophenyl)-4,8-dioxospiro[2.5]octane-1,1-dicarbonitrile 2-(beta-Cyanoethyl)cyclohexanone Cyclohexane 3-(2,6-dioxocyclohexyl)propanenitrile