Basic information
- CAS
96384-68-8- Standard SMILES
CCCCCCCCOCBr- InChIKey
PMGWYOXUKDCMNK-UHFFFAOYSA-N- Molecular formula
- C9H19BrO
- Average molar mass
- 223.15 g/mol
- Monoisotopic mass
- 222.06193
Names & identifiers
- Preferred name
- Bromomethyloctylether
- IUPAC
- 1-(bromomethoxy)octane
- English name
- Bromomethyl octyl ether
- Molecular formula
- C9H19BrO
- Molecular weight
- 223.15
Names & synonyms
96384-68-8BromomethyloctyletherDTXSID00407297RefChem:330305DTXCID503581491-(bromomethoxy)octaneOctane,1-(bromomethoxy)-bromomethyl octyletherbromomethyl-n-octylether1-(Bromomethoxy)-octaneSCHEMBL503324SCHEMBL28075377
Show more names
Bromomethyl octyl etherOctane, 1-(bromomethoxy)-BROMOMETHYL OCTYL ETHER TECH. 90%
PMGWYOXUKDCMNK-UHFFFAOYSA-NAKOS015915603DB-249951BROMOMETHYL OCTYL ETHER;BROMOMETHYL OCTYL ETHER TECH. 90%
Database identifiers
- CAS
96384-68-8- PubChem CID
- 4989778
- DTXSID
DTXSID00407297- Nikkaji
- J267.483A
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 66
Physicochemical properties
- Boiling point
- 230.8 · 230.8±13.0 °C(Predicted)
- Density
- 1.126 g/mL · 1.126 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.457(lit.)
- Flash point
- 215 °F · 215 °F
- WGK Germany
- 3 · 3
Safety & regulation
Safety data
- wgk
- 3
Chemistry & industry
Suppliers5 total
ADVAN-SYNTH[email protected]
SIGMA—
NEOSYN[email protected]
Service Chemical Inc.[email protected]
SIGMAALDRICH—
Related reactions
2 records
Compound notes
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