Benzenebutanenitrile, g-oxo-a-phenyl
Benzenebutanenitrile, g-oxo-a-phenyl structure
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Common Name | Benzenebutanenitrile, g-oxo-a-phenyl | ||
|---|---|---|---|---|
| CAS Number | 6268-00-4 | Molecular Weight | 235.28100 | |
| Density | 1.126g/cm3 | Boiling Point | 424.7ºC at 760 mmHg | |
| Molecular Formula | C16H13NO | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 210.7ºC | |
Summary: 4-oxo-2,4-diphenylbutanenitrile, also known as Benzenebutanenitrile, g-oxo-a-phenyl-, with CAS number 6268-00-4, has a molecular formula of C16H13NO and a molecular weight of 235.28100. Its boiling point is 424.7°C, and its density is 1.126g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-oxo-2,4-diphenylbutanenitrile |
|---|---|
| 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 | 1.126g/cm3 |
|---|---|
| Boiling Point | 424.7ºC at 760 mmHg |
| Molecular Formula | C16H13NO |
| Molecular Weight | 235.28100 |
| Flash Point | 210.7ºC |
| Exact Mass | 235.10000 |
| PSA | 40.86000 |
| LogP | 3.56678 |
| Index of Refraction | 1.584 |
| InChIKey | JRWUFQJVJGKCCT-UHFFFAOYSA-N |
| SMILES | N#CC(CC(=O)c1ccccc1)c1ccccc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 0 | |
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| DownStream 4 | |
CAS#:2166-00-9
CAS#:2166-09-8
CAS#:3274-56-4
CAS#:87774-48-9This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 4-oxo-2,4-diphenylbutyronitrile |
| 4-diphenylbutanenitrile |
| 4-Oxo-2,4-diphenyl-butyronitril |
| 3-benzoyl-2-phenylpropionitrile |
| EINECS 228-440-0 |
| 2,4-diphenyl-4-butyronitrilone |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 4-oxo-2,4-diphenylbutanenitrile? |
| A: Polar surface area (PSA) of 4-oxo-2,4-diphenylbutanenitrile is 40.86000. |
| Q: What is the LogP of 4-oxo-2,4-diphenylbutanenitrile? |
| A: LogP of 4-oxo-2,4-diphenylbutanenitrile is 3.56678. |
| Q: What is the boiling point of 4-oxo-2,4-diphenylbutanenitrile? |
| A: Boiling point of 4-oxo-2,4-diphenylbutanenitrile is 424.7ºC at 760 mmHg. |
| Q: What is the CAS number of 4-oxo-2,4-diphenylbutanenitrile? |
| A: CAS number of 4-oxo-2,4-diphenylbutanenitrile is 6268-00-4. |
| Q: What is the molecular weight of 4-oxo-2,4-diphenylbutanenitrile? |
| A: Molecular weight of 4-oxo-2,4-diphenylbutanenitrile is 235.28100. |
| Q: What are the downstream products of 4-oxo-2,4-diphenylbutanenitrile? |
| A: Related downstream products(CAS) of 4-oxo-2,4-diphenylbutanenitrile: 2166-00-9;2166-09-8;3274-56-4;87774-48-9. |
| Q: What is the InChIKey of 4-oxo-2,4-diphenylbutanenitrile? |
| A: InChIKey of 4-oxo-2,4-diphenylbutanenitrile is JRWUFQJVJGKCCT-UHFFFAOYSA-N. |
| Q: What is the English name of 4-oxo-2,4-diphenylbutanenitrile? |
| A: The English name of 4-oxo-2,4-diphenylbutanenitrile is 4-oxo-2,4-diphenylbutanenitrile. |
| Q: What is the SMILES notation of 4-oxo-2,4-diphenylbutanenitrile? |
| A: SMILES notation of 4-oxo-2,4-diphenylbutanenitrile is N#CC(CC(=O)c1ccccc1)c1ccccc1. |
| Q: What is the molecular formula of 4-oxo-2,4-diphenylbutanenitrile? |
| A: Molecular formula of 4-oxo-2,4-diphenylbutanenitrile is C16H13NO. |
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. |