3-(1,3-benzodioxol-5-yloxy)propanenitrile
3-(1,3-benzodioxol-5-yloxy)propanenitrile structure
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Common Name | 3-(1,3-benzodioxol-5-yloxy)propanenitrile | ||
|---|---|---|---|---|
| CAS Number | 82872-97-7 | Molecular Weight | 191.18300 | |
| Density | 1.266g/cm3 | Boiling Point | 350.8ºC at 760 mmHg | |
| Molecular Formula | C10H9NO3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 150.7ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(1,3-benzodioxol-5-yloxy)propanenitrile |
|---|
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.266g/cm3 |
|---|---|
| Boiling Point | 350.8ºC at 760 mmHg |
| Molecular Formula | C10H9NO3 |
| Molecular Weight | 191.18300 |
| Flash Point | 150.7ºC |
| Exact Mass | 191.05800 |
| PSA | 51.48000 |
| LogP | 1.70778 |
| Index of Refraction | 1.552 |
| InChIKey | FJFNNPPPAFZQOX-UHFFFAOYSA-N |
| SMILES | N#CCCOc1ccc2c(c1)OCO2 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~74%
3-(1,3-benzodio... CAS#:82872-97-7 |
| Literature: Kuwabe; Torraca; Buchwald Journal of the American Chemical Society, 2001 , vol. 123, # 49 p. 12202 - 12206 |
|
~%
3-(1,3-benzodio... CAS#:82872-97-7 |
| Literature: Devakumar, C.; Saxena, V. S.; Mukerjee, S. K. Agricultural and Biological Chemistry, 1985 , vol. 49, # 3 p. 725 - 730 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 0 | |
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-(1,3-benzodioxol-5-yloxy)propanenitrile? |
| A: Polar surface area (PSA) of 3-(1,3-benzodioxol-5-yloxy)propanenitrile is 51.48000. |
| Q: What is the LogP of 3-(1,3-benzodioxol-5-yloxy)propanenitrile? |
| A: LogP of 3-(1,3-benzodioxol-5-yloxy)propanenitrile is 1.70778. |
| Q: What are the upstream materials of 3-(1,3-benzodioxol-5-yloxy)propanenitrile? |
| A: Related upstream materials(CAS) of 3-(1,3-benzodioxol-5-yloxy)propanenitrile: 533-31-3;107-13-1;120-57-0. |
| Q: What is the boiling point of 3-(1,3-benzodioxol-5-yloxy)propanenitrile? |
| A: Boiling point of 3-(1,3-benzodioxol-5-yloxy)propanenitrile is 350.8ºC at 760 mmHg. |
| Q: What is the English name of 3-(1,3-benzodioxol-5-yloxy)propanenitrile? |
| A: The English name of 3-(1,3-benzodioxol-5-yloxy)propanenitrile is 3-(1,3-benzodioxol-5-yloxy)propanenitrile. |
| Q: What is the Chinese name of 82872-97-7? |
| A: Chinese name of 82872-97-7 is 82872-97-7. |
| Q: What is the CAS number of 3-(1,3-benzodioxol-5-yloxy)propanenitrile? |
| A: CAS number of 3-(1,3-benzodioxol-5-yloxy)propanenitrile is 82872-97-7. |
| Q: What is the SMILES notation of 3-(1,3-benzodioxol-5-yloxy)propanenitrile? |
| A: SMILES notation of 3-(1,3-benzodioxol-5-yloxy)propanenitrile is N#CCCOc1ccc2c(c1)OCO2. |
| Q: What is the InChIKey of 3-(1,3-benzodioxol-5-yloxy)propanenitrile? |
| A: InChIKey of 3-(1,3-benzodioxol-5-yloxy)propanenitrile is FJFNNPPPAFZQOX-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 3-(1,3-benzodioxol-5-yloxy)propanenitrile? |
| A: Molecular weight of 3-(1,3-benzodioxol-5-yloxy)propanenitrile is 191.18300. |