1,3-Dioxepin, 4,7-dihydro-2-phenyl
1,3-Dioxepin, 4,7-dihydro-2-phenyl structure
|
Common Name | 1,3-Dioxepin, 4,7-dihydro-2-phenyl | ||
|---|---|---|---|---|
| CAS Number | 2568-24-3 | Molecular Weight | 176.21200 | |
| Density | 1.11 g/mL at 25ºC(lit.) | Boiling Point | 114ºC/3.5 mmHg(lit.) | |
| Molecular Formula | C11H12O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 113ºC | |
Summary: 2-phenyl-4,7-dihydro-1,3-dioxepine, also known as 1,3-Dioxepin, 4,7-dihydro-2-phenyl-, with CAS number 2568-24-3, has a molecular formula of C11H12O2 and a molecular weight of 176.21200. 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 | 2-phenyl-4,7-dihydro-1,3-dioxepine |
|---|---|
| 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 | 1.11 g/mL at 25ºC(lit.) |
|---|---|
| Boiling Point | 114ºC/3.5 mmHg(lit.) |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.21200 |
| Flash Point | 113ºC |
| Exact Mass | 176.08400 |
| PSA | 18.46000 |
| LogP | 2.28820 |
| Vapour Pressure | 0.00772mmHg at 25°C |
| Index of Refraction | n20/D 1.543(lit.) |
| InChIKey | DRRPAFPCDLXMFG-UHFFFAOYSA-N |
| SMILES | C1=CCOC(c2ccccc2)OC1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~91%
1,3-Dioxepin, 4... CAS#:2568-24-3 |
| Literature: Soulie, J.; Lampilas, M.; Lallemand, J. Y. Tetrahedron, 1987 , vol. 43, # 12 p. 2701 - 2708 |
|
~56%
1,3-Dioxepin, 4... CAS#:2568-24-3 |
| Literature: Firouzabadi, Habib; Iranpoor, Nasser; Shaterian, Hamid Reza Bulletin of the Chemical Society of Japan, 2002 , vol. 75, # 10 p. 2195 - 2205 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 3 | |
CAS#:583-03-9
CAS#:81028-03-7
CAS#:5585-14-8This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
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
|
|
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
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00010646 |
| 2-phenyl-4,7-dihydro[1,3]-dioxepine |
| (Z)-2-butene-1,4-diol benzylidene acetal |
| 4,7-Dihydro-2-phenyl-1,3-dioxepin |
| 2-phenyl-1,3-dioxacyclohept-5-ene |
| 2-Phenyl-4,7-dihydro-[1,3]dioxepin |
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 2-phenyl-4,7-dihydro-1,3-dioxepine? |
| A: Polar surface area (PSA) of 2-phenyl-4,7-dihydro-1,3-dioxepine is 18.46000. |
| Q: What are the downstream products of 2-phenyl-4,7-dihydro-1,3-dioxepine? |
| A: Related downstream products(CAS) of 2-phenyl-4,7-dihydro-1,3-dioxepine: 583-03-9;81028-03-7;5585-14-8. |
| Q: What are the upstream materials of 2-phenyl-4,7-dihydro-1,3-dioxepine? |
| A: Related upstream materials(CAS) of 2-phenyl-4,7-dihydro-1,3-dioxepine: 6117-80-2;100-52-7;821-11-4. |
| Q: What is the English name of 2-phenyl-4,7-dihydro-1,3-dioxepine? |
| A: The English name of 2-phenyl-4,7-dihydro-1,3-dioxepine is 2-phenyl-4,7-dihydro-1,3-dioxepine. |
| Q: What is the molecular formula of 2-phenyl-4,7-dihydro-1,3-dioxepine? |
| A: Molecular formula of 2-phenyl-4,7-dihydro-1,3-dioxepine is C11H12O2. |
| Q: What is the SMILES notation of 2-phenyl-4,7-dihydro-1,3-dioxepine? |
| A: SMILES notation of 2-phenyl-4,7-dihydro-1,3-dioxepine is C1=CCOC(c2ccccc2)OC1. |
| Q: What English synonyms does 2-phenyl-4,7-dihydro-1,3-dioxepine have? |
| A: English synonyms of 2-phenyl-4,7-dihydro-1,3-dioxepine: MFCD00010646, 2-phenyl-4,7-dihydro[1,3]-dioxepine, (Z)-2-butene-1,4-diol benzylidene acetal, 4,7-Dihydro-2-phenyl-1,3-dioxepin, 2-phenyl-1,3-dioxacyclohept-5-ene, 2-Phenyl-4,7-dihydro-[1,3]dioxepin. |
| Q: What is the InChIKey of 2-phenyl-4,7-dihydro-1,3-dioxepine? |
| A: InChIKey of 2-phenyl-4,7-dihydro-1,3-dioxepine is DRRPAFPCDLXMFG-UHFFFAOYSA-N. |
| Q: What is the CAS number of 2-phenyl-4,7-dihydro-1,3-dioxepine? |
| A: CAS number of 2-phenyl-4,7-dihydro-1,3-dioxepine is 2568-24-3. |
| Q: What is the LogP of 2-phenyl-4,7-dihydro-1,3-dioxepine? |
| A: LogP of 2-phenyl-4,7-dihydro-1,3-dioxepine is 2.28820. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |