3-Oxocyclobutanecarbonitrile
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 | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-oxocyclobutane-1-carbonitrile |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| 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 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2926909090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~98%
3-Oxocyclobutan... CAS#:20249-16-5 |
| Literature: ASTRAZENECA AB Patent: US2012/122843 A1, 2012 ; Location in patent: Page/Page column 39 ; |
|
~79%
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 |
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~%
3-Oxocyclobutan... CAS#:20249-16-5 |
| Literature: Tetrahedron, , vol. 57, # 11 p. 2221 - 2230 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 8 | |
CAS#:20249-17-6![3-phenylbicyclo[1.1.0]butane-1-carbonitrile structure](https://image.chemsrc.com/caspic/147/30494-27-0.png)
CAS#:30494-27-0
CAS#:86770-80-1
CAS#:681128-39-2
CAS#:107496-54-8
CAS#:1246765-49-0
CAS#:681128-38-1![1-ethenylbicyclo[1.1.0]butane-3-carbonitrile structure](https://image.chemsrc.com/caspic/150/51934-08-8.png)
CAS#:51934-08-8This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| 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% |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-oxo-cyclobutane-1-carbonitrile |
| 3-Oxocyclobutanecarbonitrile |
| 3-OXO-CYCLOBUTANECARBONITRILE |
| 3-Oxo-cyclobutancarbonitril |
| 3-cyanocyclobutanone |
| Cyclobutanecarbonitrile,3-oxo |
| 3-Oxo-cyclobutannitril |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 3-oxocyclobutane-1-carbonitrile? |
| A: SMILES notation of 3-oxocyclobutane-1-carbonitrile is N#CC1CC(=O)C1. |
| Q: What is the molecular weight of 3-oxocyclobutane-1-carbonitrile? |
| A: Molecular weight of 3-oxocyclobutane-1-carbonitrile is 95.099. |
| Q: What is the CAS number of 3-oxocyclobutane-1-carbonitrile? |
| A: CAS number of 3-oxocyclobutane-1-carbonitrile is 20249-16-5. |
| Q: What is the polar surface area (PSA) of 3-oxocyclobutane-1-carbonitrile? |
| A: Polar surface area (PSA) of 3-oxocyclobutane-1-carbonitrile is 40.86000. |
| Q: What is the English name of 3-oxocyclobutane-1-carbonitrile? |
| A: The English name of 3-oxocyclobutane-1-carbonitrile is 3-oxocyclobutane-1-carbonitrile. |
| Q: What is the molecular formula of 3-oxocyclobutane-1-carbonitrile? |
| A: Molecular formula of 3-oxocyclobutane-1-carbonitrile is C5H5NO. |
| Q: What is the LogP of 3-oxocyclobutane-1-carbonitrile? |
| A: LogP of 3-oxocyclobutane-1-carbonitrile is -1.19. |
| Q: What English synonyms does 3-oxocyclobutane-1-carbonitrile have? |
| A: English synonyms of 3-oxocyclobutane-1-carbonitrile: 3-oxo-cyclobutane-1-carbonitrile, 3-Oxocyclobutanecarbonitrile, 3-OXO-CYCLOBUTANECARBONITRILE, 3-Oxo-cyclobutancarbonitril, 3-cyanocyclobutanone, Cyclobutanecarbonitrile,3-oxo, 3-Oxo-cyclobutannitril. |
| Q: What are the downstream products of 3-oxocyclobutane-1-carbonitrile? |
| A: Related downstream products(CAS) of 3-oxocyclobutane-1-carbonitrile: 20249-17-6;30494-27-0;86770-80-1;681128-39-2;107496-54-8;1246765-49-0;681128-38-1;51934-08-8. |
| Q: What are the upstream materials of 3-oxocyclobutane-1-carbonitrile? |
| A: Related upstream materials(CAS) of 3-oxocyclobutane-1-carbonitrile: 15760-35-7;339529-30-5;22020-87-7. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |