bis(perfluoroisopropyl)ketone (CAS 813-44-5) — formula C7F14O, molecular weight 366.05; category organic chemicals.
| CAS Number | 813-44-5 |
|---|---|
| Molecular Formula | C7F14O |
| Molecular Weight | 366.05 |
| LogP | 4.9 |
| Applications | Use Classification: PFAS (per- and polyfluoroalkyl substances) -> OECD Category, General Manufacturing Information: 3-Pentanone, 1, 2, 4, 5, 5-octafluoro-2, 4-bis(trifluoromethyl)-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: PFAS (per- and polyfluoroalkyl substances) -> OECD Category, General Manufacturing Information: 3-Pentanone, 1, 2, 4, 5, 5-octafluoro-2, 4-bis(trifluoromethyl)-: ACTIVE.
bis(perfluoroisopropyl)ketone is a carbon-based organic compound with CAS registry number 813-44-5 and molecular formula C7F14O (molecular weight 366.05), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 813-44-5
Its molecular formula C7F14O comprises 7 C, 14 F, 1 O atoms.
Also known as: bis(perfluoroisopropyl)ketone · 双(全氟异丙基)酮
Category: organic chemicals
The CAS registry number of bis(perfluoroisopropyl)ketone is 813-44-5.
Molecular formula C7F14O, molecular weight 366.05.
It is also registered under: bis(perfluoroisopropyl)ketone, 双(全氟异丙基)酮.
Recorded applications: Use Classification: PFAS (per- and polyfluoroalkyl substances) -> OECD Category, General Manufacturing Information: 3-Pentanone, 1, 2, 4, 5, 5-octafluoro-2, 4-bis(trifluoromethyl)-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for bis(perfluoroisopropyl)ketone (CAS 813-44-5), compiled from public chemistry databases.
| CAS Registry Number | 813-44-5 |
|---|---|
| PubChem CID | 69941 |
| Molecular formula | C7F14O |
| IUPAC name | 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-one |
| UNII (FDA) | 9Y9SXH8QN7 |
| Molecular Weight | 366.05 |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 2 |
| Exact Mass | 365.9725589 |
| Monoisotopic Mass | 365.9725589 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 22 |
1,1,1,2,4,5,5,5-Octafluoro-2,4-bis(trifluoromethyl)pentan-3-one; Bis(perfluorisopropyl) ketone; 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)-3-pentanone; perfluoroisopropyl ketone; 3-Pentanone, 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)-; RefChem:569245; PERFLUORODIISOPROPYL KETONE; 212-384-9; 813-44-5; Bis(perfluoroisopropyl)ketone; Bis(heptafluoroisopropyl)ketone; MFCD00042087; Bis(perfluoroisopropyl)methanone; EINECS 212-384-9; 9Y9SXH8QN7; bis(perfluoroisopropyl) ketone
| GHS notification summary | 14.3% (1 / 7) |
|---|
| GHS notification summary | 14.3% (1 / 7) |
|---|---|
| Reported hazard statements | H302 (71.4%), H315 (85.7%), H319 (85.7%), H332 (71.4%), H335 (85.7%) |
This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.
H302 (71.4%): Harmful if swallowed [Warning Acute toxicity, oral]
bis(perfluoroisopropyl)ketone · CAS 813-44-5 · C7F14O. UNII 9Y9SXH8QN7.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 双(全氟异丙基)酮