Perfluorobutyrate
Grundinformationen
- CAS
45048-62-2- Standard-SMILES
O=C([O-])C(F)(F)C(F)(F)C(F)(F)F- InChIKey
YPJUNDFVDDCYIH-UHFFFAOYSA-M- Summenformel
- C4F7O2-
- Durchschnittliche Molmasse
- 213,03 g/mol
- Monoisotopische Masse
- 212,97920036
Namen und Bezeichner
- Bevorzugter Name
- Perfluorobutyrate
- IUPAC
- 2,2,3,3,4,4,4-heptafluorobutanoate
Namen und Synonyme
perfluorobutyrateRefChem:3683762,2,3,3,4,4,4-heptafluorobutanoateperfluorobutanoate45048-62-2heptafluorobutanoatePFBA ionDTXSID80892480YPJUNDFVDDCYIH-UHFFFAOYSA-M
Datenbank-Bezeichner
- CAS
45048-62-2- PubChem CID
- 4342798
- DTXSID
DTXSID80892480- Nikkaji
- J720.087K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 40,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- -1
- Komplexität
- 212
Experimentelle und physikochemische Eigenschaften
PFASPFAS
Sicherheit und Regulatorisches
Toxikologische Informationen
RAIS Toxicity Values
0.001
IRIS Current
0.006
IRIS Current
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06
7.80e+01
1.20e+03
1.80e+01
(G)
6.30e-03
1.00e-03
Hazard Quotient Level 3 or Cancer Risk Level 1E-04
2.30e+02
3.50e+03
5.40e+01
1.00e-03
Volatile
Mutagen
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
Zugehörige Reaktionen
2
Notizen zur Verbindung
Wird geladen…