Grundinformationen
- CAS
375-01-9- Standard-SMILES
OCC(F)(F)C(F)(F)C(F)(F)F- InChIKey
WXJFKAZDSQLPBX-UHFFFAOYSA-N- Summenformel
- C3F7CH2OH
- Durchschnittliche Molmasse
- 200,05 g/mol
- Monoisotopische Masse
- 200,00721226
Namen und Bezeichner
- Bevorzugter Name
- Heptafluorobutanol
- IUPAC
- 2,2,3,3,4,4,4-heptafluorobutan-1-ol
- Lokaler Name
- 2,2,3,3,4,4,4-Heptafluorbutan-1-ol
- Englischer Name
- 2,2,3,3,4,4,4-Heptafluoro-1-butanol
- Summenformel
- C4H3F7O
- Molmasse
- 200.05
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
375-01-9- PubChem CID
- 9776
- DTXSID
DTXSID4059914- ChEMBL
CHEMBL4570439- UNII
- 5R7VC6NQE7
- EC Number
- 206-782-1
- Nikkaji
- J70.068A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 159
Experimentelle und physikochemische Eigenschaften
PFAS
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PFAS -> Fluorotelomer based substances
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> F-telomer alcohols (FTOH)
PFAS -> Other/unspecified
Physikochemische Eigenschaften
- Siedepunkt
- 96 · 96-97 °C(lit.)
- Dichte
- 1.6 g/mL · 1.6 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.3(lit.)
- Flammpunkt
- 77 °F · 77 °F
- storage temp.
- Flammables area
- Aggregatzustand
- Crystalline Powder
- pka
- 12.53 · 12.53±0.10(Predicted)
- Wichte
- 1.6 · 1.600
- Farbe
- White to light beige
- Wasserlöslichkeit
- Not miscible or difficult to mix in water.
- BRN
- 1761907 · 1761907
- Henry's Law Constant
- 2.1 · 2.1×10-2 mol/(m3Pa) at 25℃, I. et al. (1999)
- InChI
- InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2
- InChIKey
- WXJFKAZDSQLPBX-UHFFFAOYSA-N
- SMILES
- C(O)C(F)(F)C(F)(F)C(F)(F)F
- CAS Datenbank
- 375 · 375-01-9(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1-Butanol, 2,2,3,3,4,4,4-heptafluoro- (375-01-9)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 60 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazards Summary
Produced signs of neurotoxicity (narcosis) in 6-hr lethal-concentration study of rats; Significantly increased mean liver weights (accompanied by increased alkaline phosphatase) observed in 5-day inhalation study of rats at 1,000 ppm/6hr/day; [EPA - TSCATS] A skin and strong eye irritant; Harmful by inhalation; [Alfa Aesar MSDS] See 2,2,3,3,4,4,5,5-Octafluoro-1-pentanol.
Toxikologische Informationen
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 1987 3/PG 3
- hs_code
- 29055900
- RTECS-Nr.
- EL4130000
- risk_code
- 10-36/37/38
- hazard_code
- Xi,F
- hazard_note
- Flammable/Irritant
- safety_code
- 16-26
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 3
Chemie und Industrie
Verwendung und Herstellung
Use Classification
PFAS -> F-telomer alcohols (FTOH)
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
Anwendungen
Verwenden2,2,3,3,4,4,4-Heptafluoro-1-butanol can be used to synthesize poly(2-hydroxyethyl vinyl ether)-block-poly(2-(2,2,3,3,4,4,4-heptafluorobutoxy)ethyl vinyl ether) (poly(HOVE-b-HFBOVE), a fluorinated amphiphilic block copolymer.
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