Basic information
- CAS
593-22-6- Standard SMILES
FCCCCOCCCCCl- InChIKey
NPERCMMNVGTKTP-UHFFFAOYSA-N- Molecular formula
- C8H16ClFO
- Average molar mass
- 182.66 g/mol
- Monoisotopic mass
- 182.087371
Names & identifiers
- Preferred name
- Ether, 4-chlorobutyl 4-fluorobutyl
- IUPAC
- 1-(4-chlorobutoxy)-4-fluorobutane
- English name
- (4-Chlorobutyl)(4-fluorobutyl) ether
- Molecular formula
- C8H16ClFO
- Molecular weight
- 182.66
Names & synonyms
ETHER, 4-CHLOROBUTYL 4-FLUOROBUTYL593-22-64-Fluoro-4'-chlorodibutyl etherBRN 17398604-Chloro-4'-fluorodibutyl ether4-Chloro-4'-fluoro-1,1'-oxybisbutaneDTXSID802080274-01-00-01551 (Beilstein Handbook Reference)RefChem:341527DTXCID001305181-(4-chlorobutoxy)-4-fluorobutane1-chloro-4-(4-fluorobutoxy)butane
Show more names
Butane, 1-(4-chlorobutoxy)-4-fluoro-(4-Chlorobutyl)(4-fluorobutyl) ether
Database identifiers
- CAS
593-22-6- PubChem CID
- 11631
- DTXSID
DTXSID80208027- Nikkaji
- J49.860B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 71.1
Physicochemical properties
- Boiling point
- 218.1 · 218.1±25.0 °C(Predicted)
- Density
- 0.993 · 0.993±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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