Basic information
- CAS
1759-60-0- Standard SMILES
COC1=C(F)C(F)(F)C(F)(F)C1(F)F- InChIKey
HCVGDVYOISIYKY-UHFFFAOYSA-N- Molecular formula
- C6H3F7O
- Average molar mass
- 224.08 g/mol
- Monoisotopic mass
- 224.00721185
Names & identifiers
- Preferred name
- 1,3,3,4,4,5,5-Heptafluoro-2-methoxycyclopentene
- IUPAC
- 1,3,3,4,4,5,5-heptafluoro-2-methoxycyclopentene
- English name
- 1,3,3,4,4,5,5-Heptafluoro-2-methoxy-1-cyclopentene
- Molecular formula
- C6H3F7O
- Molecular weight
- 224.08
Names & synonyms
1759-60-0Cyclopentene, 1-methoxyheptafluoro-1,3,3,4,4,5,5-heptafluoro-2-methoxycyclopenteneDTXSID10170041RefChem:1052479DTXCID00925321,3,3,4,4,5,5-Heptafluoro-2-methoxycyclopent-1-ene1,3,3,4,4,5,5-Heptafluoro-2-methoxy-1-cyclopenteneMFCD01735620Cyclopentene, 1,3,3,4,4,5,5-heptafluoro-2-methoxy-MonomethoxyheptafluorocyclopenteneBRN 1820458
Show more names
C6H3F7OSCHEMBL11750463HCVGDVYOISIYKY-UHFFFAOYSA-NAKOS037655478PS-11399
Database identifiers
- CAS
1759-60-0- PubChem CID
- 74476
- DTXSID
DTXSID10170041- Nikkaji
- J48.269B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 293
Physicochemical properties
- Boiling point
- 104 °C · 104 °C
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P241-P261
- HS Code
- 2909200090 · 2909200090
- Toxicity
- 12000 ppm · mouse,LCLo,inhalation,12000ppm (12000ppm),Anaesthesia. Vol. 19, Pg. 167, 1964.
Safety & regulation
Safety data
- hs_code
- 2909200090
- Toxicity
- mouse,LCLo,inhalation,12000ppm (12000ppm),Anaesthesia. Vol. 19, Pg. 167, 1964.
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H226-H315-H319-H335
- Precautionary statements
- P210-P241-P261
Chemistry & industry
Suppliers2 total
SYNQUEST[email protected]
APOLLO-NMR[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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