4-(2-OXOACETYL)BENZONITRILE
4-(2-OXOACETYL)BENZONITRILE structure
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Common Name | 4-(2-OXOACETYL)BENZONITRILE | ||
|---|---|---|---|---|
| CAS Number | 20099-53-0 | Molecular Weight | 159.14100 | |
| Density | 1.251 g/cm3 | Boiling Point | 305.114ºC at 760 mmHg | |
| Molecular Formula | C9H5NO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 138.328ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-oxaldehydoylbenzonitrile |
|---|---|
| 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 | 1.251 g/cm3 |
|---|---|
| Boiling Point | 305.114ºC at 760 mmHg |
| Molecular Formula | C9H5NO2 |
| Molecular Weight | 159.14100 |
| Flash Point | 138.328ºC |
| Exact Mass | 159.03200 |
| PSA | 57.93000 |
| LogP | 0.93988 |
| InChIKey | YFRPJYGYHJNAKA-UHFFFAOYSA-N |
| SMILES | N#Cc1ccc(C(=O)C=O)cc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2926909090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~82%
4-(2-OXOACETYL)... CAS#:20099-53-0 |
| Literature: TIBOTEC PHARMACEUTICALS LTD. Patent: WO2005/105810 A2, 2005 ; Location in patent: Page/Page column 27 ; |
|
~66%
4-(2-OXOACETYL)... CAS#:20099-53-0 |
| Literature: MITSUBISHI PHARMA CORPORATION; SANOFI-SYNTHELABO Patent: WO2004/85408 A1, 2004 ; Location in patent: Page 285 ; WO 2004/085408 A1 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
|---|---|
| DownStream 0 | |
This 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.
| 4-oxaldehydoylbenzenecarbonitrile |
| 4-oxoacetyl-benzonitrile |
| 4-Glyoxyloyl-benzonitril |
| 4-cyano phenylglyoxal |
| (4-Cyan-phenyl)-glyoxal |
| 4-(2,2-dihydroxyacetyl)benzonitrile |
| 4-(2-oxo-acetyl)-benzonitrile |
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 4-oxaldehydoylbenzonitrile? |
| A: SMILES notation of 4-oxaldehydoylbenzonitrile is N#Cc1ccc(C(=O)C=O)cc1. |
| Q: What English synonyms does 4-oxaldehydoylbenzonitrile have? |
| A: English synonyms of 4-oxaldehydoylbenzonitrile: 4-oxaldehydoylbenzenecarbonitrile, 4-oxoacetyl-benzonitrile, 4-Glyoxyloyl-benzonitril, 4-cyano phenylglyoxal, (4-Cyan-phenyl)-glyoxal, 4-(2,2-dihydroxyacetyl)benzonitrile, 4-(2-oxo-acetyl)-benzonitrile. |
| Q: What is the CAS number of 4-oxaldehydoylbenzonitrile? |
| A: CAS number of 4-oxaldehydoylbenzonitrile is 20099-53-0. |
| Q: What is the InChIKey of 4-oxaldehydoylbenzonitrile? |
| A: InChIKey of 4-oxaldehydoylbenzonitrile is YFRPJYGYHJNAKA-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 4-oxaldehydoylbenzonitrile? |
| A: Polar surface area (PSA) of 4-oxaldehydoylbenzonitrile is 57.93000. |
| Q: What are the upstream materials of 4-oxaldehydoylbenzonitrile? |
| A: Related upstream materials(CAS) of 4-oxaldehydoylbenzonitrile: 1443-80-7;20099-89-2. |
| Q: What is the molecular formula of 4-oxaldehydoylbenzonitrile? |
| A: Molecular formula of 4-oxaldehydoylbenzonitrile is C9H5NO2. |
| Q: What is the boiling point of 4-oxaldehydoylbenzonitrile? |
| A: Boiling point of 4-oxaldehydoylbenzonitrile is 305.114ºC at 760 mmHg. |
| Q: What is the LogP of 4-oxaldehydoylbenzonitrile? |
| A: LogP of 4-oxaldehydoylbenzonitrile is 0.93988. |
| Q: What is the molecular weight of 4-oxaldehydoylbenzonitrile? |
| A: Molecular weight of 4-oxaldehydoylbenzonitrile is 159.14100. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |