Pentafluorpropionsure
Pentafluoropropionic acid
Grundinformationen
- CAS
422-64-0- Standard-SMILES
O=C(O)C(F)(F)C(F)(F)F- InChIKey
LRMSQVBRUNSOJL-UHFFFAOYSA-N- Summenformel
- C3HF5O2
- Durchschnittliche Molmasse
- 164,03 g/mol
- Monoisotopische Masse
- 163,98967037
Überblick
ion pairing reagent; RN given refers to parent cpd
Namen und Bezeichner
- Bevorzugter Name
- Pentafluoropropionic acid
- IUPAC
- 2,2,3,3,3-pentafluoropropanoic acid
- Lokaler Name
- Pentafluorpropionsure
- Englischer Name
- Perfluoropropionic acid
- Summenformel
- C3HF5O2
- Molmasse
- 164.03
Namen und Synonyme
Pentafluoropropionic acidPerfluoropropionic acid422-64-0Propanoic acid, pentafluoro-PERFLUOROPROPANOIC ACIDPropionic acid, pentafluoro-DTXSID8059970Propanoic acid, 2,2,3,3,3-pentafluoro-2,2,3,3,3-Pentafluoropropionic acidPFPrA perfluoropropionic acidRefChem:860295378-77-8 (Na salt)
Weitere Namen anzeigen
Pentafluoropropionic acid (PFPA)IPC-PFFA-3uoropropionic AcidRARECHEM AL BO 0422Pentafluorpropionsure
509-09-1 (Ag(1+) salt)207-021-6Pentafluoropropanoic acid2,2,3,3,3-Pentafluoropropanoic acidPFPrAC3HF5O2MFCD00004170QB53AX6MW4
Datenbank-Bezeichner
- CAS
422-64-0- PubChem CID
- 62356
- DTXSID
DTXSID8059970- UNII
- QB53AX6MW4
- EC Number
- 207-021-6
- Nikkaji
- J35.371J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 147
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Ionic Liquids -> Fluorinated Ionic Liquids
Ionic Liquids
PFAS
PFAS -> Perfluorocarboxylic acids
PFAS -> Other/unspecified
PFAS -> Ultra Short Chain PFcarboxylic acids
PFAS -> Other/unspecified
PFAS
PFAS -> non-polymer
SpringerMaterials PropertiesDiamagnetic susceptibility
Collision Cross Section115.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]
Physikochemische Eigenschaften
- Siedepunkt
- 96 · 96-97 °C (lit.)
- Dichte
- 1.561 g/mL · 1.561 g/mL at 25 °C (lit.)
- Dampfdichte
- 5.6 · ~5.6 (vs air)
- Dampfdruck
- 40 mm · ~40 mm Hg ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.284(lit.)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Propanoic acid, pentafluoro-
2,2,3,3,3-Pentafluoropropionic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Toxikologische Informationen
RAIS Toxicity Values
0.0005
ORD Current
USGS Health-Based Screening Levels for Evaluating Water-Quality
Perfluoropropanoic acid (PFPrA)
PFAS
3
The HBSL is based on the Noncancer RfD from Office of Research and Development
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06
Chemie und Industrie
Verwendung und Herstellung
Usesnon-polymer PFAS -> Textile and upholstery -> Textile and upholstery
Use ClassificationPFAS -> Ultra Short Chain PFcarboxylic acids
General Manufacturing InformationPropanoic acid, 2,2,3,3,3-pentafluoro-: ACTIVE
Anwendungen
VerwendenPentafluoropropionic acid is used as an efficient catalyst for the preparation of dibenzo[a, j] xanthenes by condensation reaction of beta-naphthol with aryl aldehydes.
VerwendenPentafluoropropionic acid (Perfluoropropionic acid) was used in the analysis of gentamicin with Gemini column by liquid chromatographic (LC) methods.
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