(p-Nitrobenzoyl)acetonitrile
(p-Nitrobenzoyl)acetonitrile structure
|
Common Name | (p-Nitrobenzoyl)acetonitrile | ||
|---|---|---|---|---|
| CAS Number | 3383-43-5 | Molecular Weight | 190.156 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 387.1±22.0 °C at 760 mmHg | |
| Molecular Formula | C9H6N2O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 187.9±22.3 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(4-Nitrophenyl)-3-oxopropanenitrile |
|---|---|
| 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 | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 387.1±22.0 °C at 760 mmHg |
| Molecular Formula | C9H6N2O3 |
| Molecular Weight | 190.156 |
| Flash Point | 187.9±22.3 °C |
| Exact Mass | 190.037842 |
| PSA | 86.68000 |
| LogP | 0.73 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.578 |
| InChIKey | DXYPCBNFJFSXFY-UHFFFAOYSA-N |
| SMILES | N#CCC(=O)c1ccc([N+](=O)[O-])cc1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2926909090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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 contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: qHTS screening for TAG (triacylglycerol) accumulators in algae
Source: 11812
Target: N/A
External Id: FATTTLab-Algae-Lipid
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|
Name: Small-molecule inhibitors of ST2 (IL1RL1)
Source: 20881
Target: interleukin-1 receptor-like 1 isoform [homo sapiens]
External Id: ST2_IL33_Inhibitors_Primary_Screening_77700
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Name: Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
Source: 24983
Target: Huntingtin
External Id: KUHTS-Muma KU-CaM-Htt INH-01
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-(4-Nitrophenyl)-3-oxopropionitrile |
| 3-(4-Nitrophenyl)-3-oxopropanenitrile |
| (p-Nitrobenzoyl)acetonitrile |
| 2-cyano-4'-nitroacetophenone |
| 4-Nitrobenzoylacetonitrile |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 3-(4-Nitrophenyl)-3-oxopropanenitrile? |
| A: InChIKey of 3-(4-Nitrophenyl)-3-oxopropanenitrile is DXYPCBNFJFSXFY-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 3-(4-Nitrophenyl)-3-oxopropanenitrile? |
| A: Polar surface area (PSA) of 3-(4-Nitrophenyl)-3-oxopropanenitrile is 86.68000. |
| Q: What is the LogP of 3-(4-Nitrophenyl)-3-oxopropanenitrile? |
| A: LogP of 3-(4-Nitrophenyl)-3-oxopropanenitrile is 0.73. |
| Q: What is the CAS number of 3-(4-Nitrophenyl)-3-oxopropanenitrile? |
| A: CAS number of 3-(4-Nitrophenyl)-3-oxopropanenitrile is 3383-43-5. |
| Q: What English synonyms does 3-(4-Nitrophenyl)-3-oxopropanenitrile have? |
| A: English synonyms of 3-(4-Nitrophenyl)-3-oxopropanenitrile: 3-(4-Nitrophenyl)-3-oxopropionitrile, 3-(4-Nitrophenyl)-3-oxopropanenitrile, (p-Nitrobenzoyl)acetonitrile, 2-cyano-4'-nitroacetophenone, 4-Nitrobenzoylacetonitrile. |
| Q: What is the SMILES notation of 3-(4-Nitrophenyl)-3-oxopropanenitrile? |
| A: SMILES notation of 3-(4-Nitrophenyl)-3-oxopropanenitrile is N#CCC(=O)c1ccc([N+](=O)[O-])cc1. |
| Q: What is the boiling point of 3-(4-Nitrophenyl)-3-oxopropanenitrile? |
| A: Boiling point of 3-(4-Nitrophenyl)-3-oxopropanenitrile is 387.1±22.0 °C at 760 mmHg. |
| Q: What is the English name of 3-(4-Nitrophenyl)-3-oxopropanenitrile? |
| A: The English name of 3-(4-Nitrophenyl)-3-oxopropanenitrile is 3-(4-Nitrophenyl)-3-oxopropanenitrile. |
| Q: What is the molecular formula of 3-(4-Nitrophenyl)-3-oxopropanenitrile? |
| A: Molecular formula of 3-(4-Nitrophenyl)-3-oxopropanenitrile is C9H6N2O3. |
| Q: What is the molecular weight of 3-(4-Nitrophenyl)-3-oxopropanenitrile? |
| A: Molecular weight of 3-(4-Nitrophenyl)-3-oxopropanenitrile is 190.156. |
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. |