Basic information
- CAS
933600-77-2- Standard SMILES
FC(F)(F)CCCOC(CCC(F)(F)F)OCCCC(F)(F)F- InChIKey
YSHMQRMPKFHHFA-UHFFFAOYSA-N- Molecular formula
- C12H17F9O2
- Average molar mass
- 364.25 g/mol
- Monoisotopic mass
- 364.10848324
Names & identifiers
- Preferred name
- 1,1,1-Trifluoro-4,4-bis(4,4,4-trifluorobutoxy)butane
- IUPAC
- 1,1,1-trifluoro-4,4-bis(4,4,4-trifluorobutoxy)butane
- English name
- 1,1,1-Trifluoro-4,4-bis(4,4,4-trifluorobutoxy)butane 97+%
- Molecular formula
- C12H17F9O2
- Molecular weight
- 364.25
Names & synonyms
1,1,1-Trifluoro-4,4-bis(4,4,4-trifluorobutoxy)butane933600-77-2MFCD08460484DTXSID40663092C12H17F9O2CS-04587031,1,1-Trifluoro-4,4-bis(4,4,4-trifluorobutoxy)butane 97+%1,1,1-Trifluoro-4,4-bis(4,4,4-trifluorobutoxy)butane; 97%Butane, 1,1,1-trifluoro-4,4-bis(4,4,4-trifluorobutoxy)-
Database identifiers
- CAS
933600-77-2- PubChem CID
- 45075693
- DTXSID
DTXSID40663092
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Boiling point
- 232.2 · 232.2±40.0 °C(Predicted)
- Density
- 1.26 · 1.260±0.06 g/cm3(Predicted)
- HS Code
- 2909199090 · 2909199090
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
- 2909199090
Chemistry & industry
Suppliers6 total
A.J Chemicals[email protected]
COMBI-BLOCKS[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
SYNQUEST[email protected]
APOLLO-NMR[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…