1,1,1,5,5,5-Hexafluoro-2,2,4,4-pentanetetrol
Basic information
- CAS
428-75-1- Standard SMILES
OC(O)(CC(O)(O)C(F)(F)F)C(F)(F)F- InChIKey
BZMWYBPDQWRVHE-UHFFFAOYSA-N- Molecular formula
- C5H6F6O4
- Average molar mass
- 244.09 g/mol
- Monoisotopic mass
- 244.01702764
Names & identifiers
- Preferred name
- 1,1,1,5,5,5-Hexafluoro-2,2,4,4-pentanetetrol
- IUPAC
- 1,1,1,5,5,5-hexafluoropentane-2,2,4,4-tetrol
- English name
- 1,1,1,5,5,5-Hexafluoro-2,2,4,4-pentane-t etrol, 97
- Molecular formula
- C5H6F6O4
- Molecular weight
- 244.09
Names & synonyms
428-75-11,1,1,5,5,5-Hexafluoro-2,2,4,4-pentanetetrolRefChem:409415630-386-11,1,1,5,5,5-Hexafluoropentane-2,2,4,4-tetraol1,1,1,5,5,5-hexafluoropentane-2,2,4,4-tetrol66922-83-62,2,4,4-Pentanetetrol,1,1,1,5,5,5-hexafluoro-3H,3H-Hexafluoropentane-2,4-dione dihydrateMFCD001714551,1,1,5,5,5-Hexafluoroacetylacetone dihydrateC5H6F6O4
Show more names
2,2,4,4-Pentanetetrol, 1,1,1,5,5,5-hexafluoro-1,1,1,5,5,5-Hexafluoro-2,2,4,4-pentane-t etrol, 97
SCHEMBL1684046AKOS0079307243H,3H-Perfluoropentane-2,2,4,4-tetraol
Database identifiers
- CAS
428-75-1、66922-83-6- PubChem CID
- 144199
- EC Number
- 630-386-1
- Nikkaji
- J2.363.537B
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 97 °C · 97 °C (dec.)(lit.)
- Boiling point
- 384 · 384.0±37.0 °C(Predicted)
- Density
- 1.821 · 1.821±0.06 g/cm3(Predicted)
- pka
- 9.52 · 9.52±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 36.7% (22 of 60) of reports.
Warning
H315 (63.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 60 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (63.3%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
6 records
Compound notes
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