Basic information
- CAS
126681-21-8- Standard SMILES
FC(F)(F)C(F)(F)C(F)(F)C(/C=C/I)(C(F)(F)F)C(F)(F)F- InChIKey
WSFZYWPCOFAVSE-OWOJBTEDSA-N- Molecular formula
- C8H2F13I
- Average molar mass
- 471.98 g/mol
- Monoisotopic mass
- 471.89936
Names & identifiers
- Preferred name
- 4,4,5,5,6,6,6-Heptafluoro-3,3-bis(trifluoromethyl)-1-iodo-1-hexene
- IUPAC
- (E)-4,4,5,5,6,6,6-heptafluoro-1-iodo-3,3-bis(trifluoromethyl)hex-1-ene
- English name
- 1H,2H-Heptafluoro-3,3-bis(trifluoromethyl)-1-iodohex-1-ene
- Molecular formula
- C8H2F13I
- Molecular weight
- 471.99
Names & synonyms
126681-21-81H,2H-Heptafluoro-3,3-bis(trifluoromethyl)-1-iodohex-1-eneWSFZYWPCOFAVSE-OWOJBTEDSA-N4,4,5,5,6,6,6-heptafluoro-1-iodo-3,3-bis(trifluoromethyl)-1-hexeneDTXSID10344962MFCD00155809(E)-4,4,5,5,6,6,6-heptafluoro-1-iodo-3,3-bis(trifluoromethyl)hex-1-ene4,4,5,5,6,6,6-Heptafluoro-3,3-bis(trifluoromethyl)-1-iodo-1-hexeneAKOS008901157(1E)-4,4,5,5,6,6,6-Heptafluoro-1-iodo-3,3-bis(trifluoromethyl)-1-hexene(1E)-4,4,5,5,6,6,6-Heptafluoro-1-iodo-3,3-bis(trifluoromethyl)-1-hexene #(1E)-4,4,5,5,6,6,6-HEPTAFLUORO-1-IODO-3,3-BIS(TRIFLUOROMETHYL)HEX-1-ENE
Show more names
HEPTAFLUORO-3,3-BIS(TRIFLUOROMETHYL)-1-IODO-1-HEXENE1H,2H-Heptafluoro-3,3-bis(trifluoromethyl)-1-iodohex-1-ene97%1H,2H-Heptafluoro-3,3-bis(trifluoromethyl)-1-iodohex-1-ene 97%1-Hexene, 4,4,5,5,6,6,6-heptafluoro-1-iodo-3,3-bis(trifluoromethyl)-, (E)- (9CI)
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Boiling point
- 80 °C · 80°C 70mm
- Density
- 1.933 · 1.933±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- EPA Substance Registry System
- 4 · 4,4,5,5,6,6,6-heptafluoro-1-iodo-3,3-bis(trifluoromethyl)hex-1-ene (126681-21-8)
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2903798000 · 2903798000
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
- 2903798000
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Suppliers7 total
北京奥龙飞科技有限公司—
Carbone Scientific CO., LTD[email protected]
INTRCHM-FLUR[email protected]
INDOFINE-SB[email protected]
APOLLO-NMR[email protected]
Service Chemical Inc.[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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