(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-methylphenyl)methanone
Basic information
- CAS
175136-42-2- Standard SMILES
Cc1ccc(C(=O)c2cc3c(cc2Br)OCCO3)cc1- InChIKey
ZZAIOXCUIJOSQO-UHFFFAOYSA-N- Molecular formula
- C16H13BrO3
- Average molar mass
- 333.18 g/mol
- Monoisotopic mass
- 332.00481
Names & identifiers
- Preferred name
- (7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-methylphenyl)methanone
- IUPAC
- (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-methylphenyl)methanone
- English name
- (7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-methylphenyl)methanone
- Molecular formula
- C16H13BrO3
- Molecular weight
- 333.18
Names & synonyms
175136-42-2(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-methylphenyl)methanone(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-methylphenyl)methanoneMethanone, (7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(4-methylphenyl)-Maybridge1_002282Oprea1_029360HMS547P16DTXSID40350410STK259024AKOS003592523DB-0303114,5-ETHYLENEDIOXY-2-(4-METHYLBENZOYL)BROMOBENZENE
Show more names
(7-Bromo-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)(p-tolyl)methanone(7-Bromo-2,3-dihydro-1,4-benzodioxine-6-yl)-(4-methylphenyl)methanone
Database identifiers
- CAS
175136-42-2- PubChem CID
- 678322
- DTXSID
DTXSID40350410
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Boiling point
- 463.4 · 463.4±45.0 °C(Predicted)
- Density
- 1.455 · 1.455±0.06 g/cm3(Predicted)
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
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
- risk_code
- 22
- hazard_code
- Xn
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Related reactions
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Compound notes
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