Grundinformationen
- Standard-SMILES
OCC(F)(F)C(F)(F)F- InChIKey
PSQZJKGXDGNDFP-UHFFFAOYSA-N- Summenformel
- C3H3F5O
- Durchschnittliche Molmasse
- 150,05 g/mol
- Monoisotopische Masse
- 150,01040582
Namen und Bezeichner
- Bevorzugter Name
- 2,2,3,3,3-Pentafluoropropanol
- IUPAC
- 2,2,3,3,3-pentafluoropropan-1-ol
- Lokaler Name
- 2,2,3,3,3-Pentafluorpropanol
- Englischer Name
- Pentafluoro-1-propanol
- Summenformel
- C3H3F5O
- Molmasse
- 150.05
Namen und Synonyme
2,2,3,3,3-Pentafluoro-1-propanol422-05-92,2,3,3,3-PENTAFLUOROPROPANOL1,1-Dihydroperfluoropropanol1-Propanol, 2,2,3,3,3-pentafluoro-EPJ1S961SNNSC-66413RefChem:440568207-012-72,2,3,3,3-pentafluoropropan-1-olPentafluoro-1-propanol1H,1H-Pentafluoropropanol
Weitere Namen anzeigen
PFPOHPENTAFLUOROPROPANOL1,1H-perfluoropropanolPentafluoropropylalcohol
C3H3F5OC2F5CH2OHMFCD00004673NSC 664131H,1H-PENTAFLUOROPROPAN-1-OL1H,1H-perfluoropropanol2:1 Fluorotelomer alcohol1H,1H-Pentafluoro-1-propanol
Datenbank-Bezeichner
- CAS
422-05-9、70983-62-9- PubChem CID
- 9872
- DTXSID
DTXSID4059966- ChEMBL
CHEMBL4457653- UNII
- EPJ1S961SN
- EC Number
- 207-012-7
- Nikkaji
- J43.131A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 94,9
Experimentelle und physikochemische Eigenschaften
Chemical Classes
Other Classes -> Halogenated Alcohols
Ionic Liquids -> Fluorinated Ionic Liquids
Ionic Liquids
PFAS
PFAS -> F-telomer alcohols (FTOH)
PFAS -> Other/unspecified
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PFAS -> Other/unspecified
SpringerMaterials PropertiesBoiling point
Physical DescriptionLiquid; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Siedepunkt
- 80 °C748 · 80 °C748 mm Hg(lit.)
- Dichte
- 1.505 g/mL · 1.505 g/mL at 25 °C(lit.)
- Dampfdruck
- 62.055 · 62.055-324.857hPa at 24.93-54.78℃
- Brechungsindex
- 20 · n20/D 1.288(lit.)
- Flammpunkt
- 80 · 80-81°C
- storage temp.
- Flammables area
- Aggregatzustand
- Powder, Crystals and/or Chunks
- pka
- 12.45 · 12.45±0.10(Predicted)
- Wichte
- 1.509 · 1.509
- Farbe
- White to off-white to light yellow
- Wasserlöslichkeit
- 21.9 g/L · Soluble in water.21.9 g/L at 25°C
- BRN
- 1743133 · 1743133
- Henry's Law Constant
- 1.4 · 1.4×10-1 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
- InChI
- 1S/C3H3F5O/c4-2(5,1-9)3(6,7)8/h9H,1H2
- InChIKey
- PSQZJKGXDGNDFP-UHFFFAOYSA-N
- SMILES
- OCC(F)(F)C(F)(F)F
- LogP
- 1.23 · 1.23
- CAS Datenbank
- 422 · 422-05-9(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · 2,2,3,3,3-Pentafluoro-1-propanol(422-05-9)
- EPA chemische Informationen
- 1 · 1-Propanol, 2,2,3,3,3-pentafluoro- (422-05-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (92.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 53 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 1-Propanol, 2,2,3,3,3-pentafluoro-
Status: Active Update: 22-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22960
Hazards SummaryCauses general anesthesia, gastrointestinal changes, and lung changes in oral lethal-dose studies of rats; [RTECS] A skin and strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS] See Trifluoroethanol and 1,3-Dichloro-2-propanol.
Hazard Classes and CategoriesAcute Tox. 4 (92.5%)
Toxikologische Informationen
Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (mouse) = 10,0000 mg/m3
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1987
- hs_code
- 29055900
- RTECS-Nr.
- UB8800000
- risk_code
- 22-36/37/38-20-10
- Toxizität
- LDLo orl-rat: 2250 mg/kg JOCMA7 4,262,62
- hazard_code
- Xn,Xi
- safety_code
- 26-36-36/37/39-16
- hazard_class
- IRRITANT
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Acute Tox. 4 OralSTOT RE 2 Inhalation
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationPFAS -> F-telomer alcohols (FTOH)
General Manufacturing Information1-Propanol, 2,2,3,3,3-pentafluoro-: ACTIVE
Anwendungen
Verwenden2,2,3,3,3-Pentafluoro-1-Propanol is a useful reagent for the preparation of (oxoindolinyl)ethers/benzoates via photochemical O-H functionalization reactions of cyclic diazoamides.
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