3-Oxocyclobutanecarbonitrile

Modify Date: 2025-08-28 13:22:44

3-Oxocyclobutanecarbonitrile Structure
3-Oxocyclobutanecarbonitrile structure
Common Name 3-Oxocyclobutanecarbonitrile
CAS Number 20249-16-5 Molecular Weight 95.099
Density 1.1±0.1 g/cm3 Boiling Point 249.1±33.0 °C at 760 mmHg
Molecular Formula C5H5NO Melting Point N/A
MSDS N/A Flash Point 104.5±25.4 °C

 Names

Name 3-oxocyclobutane-1-carbonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 249.1±33.0 °C at 760 mmHg
Molecular Formula C5H5NO
Molecular Weight 95.099
Flash Point 104.5±25.4 °C
Exact Mass 95.037117
PSA 40.86000
LogP -1.19
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.464
InChIKey MSAGLWTVMUDVDT-UHFFFAOYSA-N
SMILES N#CC1CC(=O)C1

 Safety Information

Hazard Codes Xi
HS Code 2926909090

 Synthetic Route

~98%

3-Oxocyclobutanecarbonitrile Structure

3-Oxocyclobutan...

CAS#:20249-16-5

Literature: ASTRAZENECA AB Patent: US2012/122843 A1, 2012 ; Location in patent: Page/Page column 39 ;

~79%

3-Oxocyclobutanecarbonitrile Structure

3-Oxocyclobutan...

CAS#:20249-16-5

Literature: Tishkov, Alexander A.; Lyapkalo, Il'ya M.; Ioffe, Sema L.; Strelenko, Yuri A.; Tartakovsky, Vladimir A. Tetrahedron, 2001 , vol. 57, # 11 p. 2221 - 2230

~%

3-Oxocyclobutanecarbonitrile Structure

3-Oxocyclobutan...

CAS#:20249-16-5

Literature: Tetrahedron, , vol. 57, # 11 p. 2221 - 2230

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

3-oxo-cyclobutane-1-carbonitrile
3-Oxocyclobutanecarbonitrile
3-OXO-CYCLOBUTANECARBONITRILE
3-Oxo-cyclobutancarbonitril
3-cyanocyclobutanone
Cyclobutanecarbonitrile,3-oxo
3-Oxo-cyclobutannitril
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