Introduction：Basic information about CAS 22891-52-7|2,3-Dihydro-5H-1,4-benzodioxepin-5-one, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2,3-Dihydro-5H-1,4-benzodioxepin-5-one |
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| CAS Number | 22891-52-7 | Molecular Weight | 164.15800 |
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| Density | 1.238g/cm3 | Boiling Point | 178-184ºC 15mm |
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| Molecular Formula | C9H8O3 | Melting Point | 29-31ºC |
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| MSDS | / | Flash Point | / |
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Names
| Name | 2,3-dihydro-1,4-benzodioxepin-5-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.238g/cm3 |
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| Boiling Point | 178-184ºC 15mm |
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| Melting Point | 29-31ºC |
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| Molecular Formula | C9H8O3 |
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| Molecular Weight | 164.15800 |
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| Exact Mass | 164.04700 |
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| PSA | 35.53000 |
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| LogP | 1.23580 |
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| Vapour Pressure | 9.46E-05mmHg at 25°C |
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| Index of Refraction | 1.558 |
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| InChIKey | PYVNMBGWXYJCCL-UHFFFAOYSA-N |
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| SMILES | O=C1OCCOc2ccccc21 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DF4725800
- CHEMICAL NAME :
- 5H-1,4-Benzodioxepin-5-one, 2,3-dihydro-
- CAS REGISTRY NUMBER :
- 22891-52-7
- BEILSTEIN REFERENCE NO. :
- 0004464
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C9-H8-O3
- MOLECULAR WEIGHT :
- 164.17
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >5 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 10,607,1975
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Safety Information
| Safety Phrases | S24/25 |
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| HS Code | 2932999099 |
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Preparation
Customs
| HS Code | 2932999099 |
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| Summary | 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 5H-1,4-Benzodioxepin-5-one,2,3-dihydro |
| 2,3-Dihydro-5H-1,4-benzodioxepin-5-one |
| 2,3-Dihydro-5H-1,4-Benzodioxipin-5-One |
| MFCD00236035 |
| 2,3-DIBROMOOCTAFLUOROBUTANE |
