1-(8-Bromo-3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl)Ethan-1-One
Basic information
- CAS
175136-35-3- Standard SMILES
CC(=O)c1cc2c(cc1Br)OCCCO2- InChIKey
UUHAIZGEDARWJE-UHFFFAOYSA-N- Molecular formula
- C11H11BrO3
- Average molar mass
- 271.11 g/mol
- Monoisotopic mass
- 269.98916
Names & identifiers
- Preferred name
- 1-(8-Bromo-3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl)Ethan-1-One
- IUPAC
- 1-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanone
- English name
- 1-(8-Bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethan-1-one
- Molecular formula
- C11H11BrO3
- Molecular weight
- 271.11
Names & synonyms
175136-35-31-(8-Bromo-3,4-Dihydro-2H-1,5-Benzodioxepin-7-Yl)Ethan-1-One1-(8-Bromo-3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)ethanoneMFCD002188071-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanone7-acetyl-8-bromo-2H,3H,4H-benzo[b]1,4-dioxepinEthanone, 1-(8-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-Acetyl-8-Bromo-3,4-Dihydro-2H-1,5-BenzodioxepineDTXSID703796391-(8-Bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone1-(8-bromo-3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)ethan-1-oneSBB040036
Show more names
AKOS BBS-000028562-BROMO-4,5-TRIMETHYLENEDIOXYACETOPHENONE
AKOS000271293CCG-236111VS-13565DB-030511ST50179890EN300-3026417-acetyl-8-bro-mo-3,4-dihydro-2h-1,5-benzodioxepineF2185-0321
Database identifiers
- CAS
175136-35-3- PubChem CID
- 2775656
- DTXSID
DTXSID70379639
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 56 °C · 56 °C
- Boiling point
- 379.4 · 379.4±42.0 °C(Predicted)
- Density
- 1.475 · 1.475±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- HS Code
- 2932990090 · 2932990090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2932990090
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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