(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(phenyl)methanone
Basic information
- CAS
159175-58-3- Standard SMILES
O=C(c1ccccc1)c1cc2c(cc1Br)OCCO2- InChIKey
FODLURNKDTZRPK-UHFFFAOYSA-N- Molecular formula
- C15H11BrO3
- Average molar mass
- 319.15 g/mol
- Monoisotopic mass
- 317.98916
Names & identifiers
- Preferred name
- (7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(phenyl)methanone
- IUPAC
- (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-phenylmethanone
- English name
- (7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(phenyl)methanone
- Molecular formula
- C15H11BrO3
- Molecular weight
- 319.15
Names & synonyms
159175-58-3(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)(phenyl)methanone(7-Bromo-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)(phenyl)methanone(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-phenylmethanoneMethanone,(7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)phenyl-Maybridge1_002018CBMicro_021627Cambridge id 5950772Oprea1_240118Oprea1_427331HMS547D16DTXSID00352435
Show more names
2-BENZOYL-4,5-ETHYLENEDIOXYBROMOBENZENEMethanone, (7-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)phenyl-
BTB 12840CCG-13412STK247886AKOS000605376BIM-0021627.P001CS-0357300ST50898703SR-01000639288-1
Database identifiers
- CAS
159175-58-3- PubChem CID
- 726577
- DTXSID
DTXSID00352435- Nikkaji
- J1.416.707B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Boiling point
- 436.1 · 436.1±45.0 °C(Predicted)
- Density
- 1.5 · 1.500±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…