3-(4-Iodophenyl)-3-oxopropanenitrile
3-(4-Iodophenyl)-3-oxopropanenitrile structure
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Common Name | 3-(4-Iodophenyl)-3-oxopropanenitrile | ||
|---|---|---|---|---|
| CAS Number | 206346-33-0 | Molecular Weight | 271.055 | |
| Density | 1.8±0.1 g/cm3 | Boiling Point | 386.4±27.0 °C at 760 mmHg | |
| Molecular Formula | C9H6INO | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 187.5±23.7 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(4-iodophenyl)-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 | 1.8±0.1 g/cm3 |
|---|---|
| Boiling Point | 386.4±27.0 °C at 760 mmHg |
| Molecular Formula | C9H6INO |
| Molecular Weight | 271.055 |
| Flash Point | 187.5±23.7 °C |
| Exact Mass | 270.949402 |
| PSA | 40.86000 |
| LogP | 2.17 |
| Vapour Pressure | 0.0±0.9 mmHg at 25°C |
| Index of Refraction | 1.620 |
| InChIKey | QPMWEBPDZJGVNS-UHFFFAOYSA-N |
| SMILES | N#CCC(=O)c1ccc(I)cc1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~68%
3-(4-Iodophenyl... CAS#:206346-33-0 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 24, # 6 p. 1550 - 1556 |
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~20%
3-(4-Iodophenyl... CAS#:206346-33-0 |
| Literature: Journal of Medicinal Chemistry, , vol. 42, # 18 p. 3629 - 3635 |
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~36%
3-(4-Iodophenyl... CAS#:206346-33-0 |
| Literature: European Journal of Medicinal Chemistry, , vol. 44, # 2 p. 593 - 608 |
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~%
3-(4-Iodophenyl... CAS#:206346-33-0 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 10, # 17 p. 1953 - 1957 |
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~%
3-(4-Iodophenyl... CAS#:206346-33-0 |
| Literature: Tetrahedron Letters, , vol. 39, # 15 p. 2195 - 2198 |
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~%
3-(4-Iodophenyl... CAS#:206346-33-0 |
| Literature: Roczniki Chemii, , vol. 10, p. 555,561 Chem. Zentralbl., , vol. 101, # II p. 3274 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 8 | |
|---|---|
| DownStream 0 | |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 3-(4-Iodophenyl)-3-oxopropanenitrile |
| FD6033 |
| 3-(4-Iodo-phenyl)-3-oxo-propionitri; le |
| 4-Iodobenzoylacetonitrile |
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 3-(4-iodophenyl)-3-oxopropanenitrile? |
| A: Polar surface area (PSA) of 3-(4-iodophenyl)-3-oxopropanenitrile is 40.86000. |
| Q: What is the SMILES notation of 3-(4-iodophenyl)-3-oxopropanenitrile? |
| A: SMILES notation of 3-(4-iodophenyl)-3-oxopropanenitrile is N#CCC(=O)c1ccc(I)cc1. |
| Q: What is the molecular weight of 3-(4-iodophenyl)-3-oxopropanenitrile? |
| A: Molecular weight of 3-(4-iodophenyl)-3-oxopropanenitrile is 271.055. |
| Q: What is the English name of 3-(4-iodophenyl)-3-oxopropanenitrile? |
| A: The English name of 3-(4-iodophenyl)-3-oxopropanenitrile is 3-(4-iodophenyl)-3-oxopropanenitrile. |
| Q: What is the molecular formula of 3-(4-iodophenyl)-3-oxopropanenitrile? |
| A: Molecular formula of 3-(4-iodophenyl)-3-oxopropanenitrile is C9H6INO. |
| Q: What is the boiling point of 3-(4-iodophenyl)-3-oxopropanenitrile? |
| A: Boiling point of 3-(4-iodophenyl)-3-oxopropanenitrile is 386.4±27.0 °C at 760 mmHg. |
| Q: What are the upstream materials of 3-(4-iodophenyl)-3-oxopropanenitrile? |
| A: Related upstream materials(CAS) of 3-(4-iodophenyl)-3-oxopropanenitrile: 619-44-3;75-05-8;372-09-8;1711-02-0;51934-41-9;151-50-8;31827-94-8;619-58-9. |
| Q: What English synonyms does 3-(4-iodophenyl)-3-oxopropanenitrile have? |
| A: English synonyms of 3-(4-iodophenyl)-3-oxopropanenitrile: 3-(4-Iodophenyl)-3-oxopropanenitrile, FD6033, 3-(4-Iodo-phenyl)-3-oxo-propionitri; le, 4-Iodobenzoylacetonitrile. |
| Q: What is the InChIKey of 3-(4-iodophenyl)-3-oxopropanenitrile? |
| A: InChIKey of 3-(4-iodophenyl)-3-oxopropanenitrile is QPMWEBPDZJGVNS-UHFFFAOYSA-N. |
| Q: What is the CAS number of 3-(4-iodophenyl)-3-oxopropanenitrile? |
| A: CAS number of 3-(4-iodophenyl)-3-oxopropanenitrile is 206346-33-0. |
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. |