Basic information
- CAS
813-44-5- Standard SMILES
O=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F- InChIKey
GRVMOMUDALILLH-UHFFFAOYSA-N- Molecular formula
- C7F14O
- Average molar mass
- 366.05 g/mol
- Monoisotopic mass
- 365.9725597
Overview
Bis(perfluorisopropyl) ketone is a liquid.
Names & identifiers
- Preferred name
- Bis(perfluorisopropyl) ketone
- IUPAC
- 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-one
- English name
- Bis(heptafluoroisopropyl)ketone
- Molecular formula
- C7F14O
- Molecular weight
- 366.05
Names & synonyms
1,1,1,2,4,5,5,5-Octafluoro-2,4-bis(trifluoromethyl)pentan-3-oneBis(perfluorisopropyl) ketone1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)-3-pentanoneperfluoroisopropyl ketone3-Pentanone, 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)-RefChem:569245PERFLUORODIISOPROPYL KETONE212-384-9813-44-5Bis(perfluoroisopropyl)ketoneBis(heptafluoroisopropyl)ketoneMFCD00042087
Show more names
Bis(PerfluoroisoPerfluoroheptanoneBis(heptafluoroisopropyl)ketone97%Bis(heptafluoroisopropyl)ketone 97%Bis(perfluoroisopropyl)methanone97%Bis(perfluoroisopropyl)methanone 97%2,4-BIS(TRIFLUOROMETHYL)OCTAFLUORO-3-PENTANONE
Bis(perfluoroisopropyl)methanoneEINECS 212-384-99Y9SXH8QN7bis(perfluoroisopropyl) ketonePerfluorobis(isopropyl) ketoneSCHEMBL982803DTXSID4074855(CF3)2CFC(O)CF(CF3)2
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 364
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Other/unspecified
Physical DescriptionBis(perfluorisopropyl) ketone is a liquid.
Physicochemical properties
- Boiling point
- 72 °C · 72 °C
- Density
- 1.661 · 1.661
- Flash point
- 72 · 72-73°C
- form
- liquid
- Specific Gravity
- 1.661 · 1.661
- color
- Clear
- BRN
- 1916532 · 1916532
- Stability
- Stability
- CAS DataBase Reference
- 813 · 813-44-5(CAS DataBase Reference)
- EPA Substance Registry System
- Bis(perfluorisopropyl) ketone (813-44-5)
- Symbol(GHS)
- 7 · GHS07
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 14.3% (1 of 7) of reports.
Warning
H302 (71.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
DOT LabelPoison
Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Reactive GroupKetones
Reactivity Profile
Ketones, such as BIS(PERFLUORISOPROPYL) KETONE, are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.
Air and Water Reactions
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information3-Pentanone, 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)-: ACTIVE
Applications
General DescriptionLiquid.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers27 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Related reactions
2 records
Compound notes
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