2,2,3,3,4,4,5,5-Octafluorohexane-1,6-diol
Grundinformationen
- CAS
355-74-8- Standard-SMILES
OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CO- InChIKey
NHEKBXPLFJSSBZ-UHFFFAOYSA-N- Summenformel
- C6H6F8O2
- Durchschnittliche Molmasse
- 262,1 g/mol
- Monoisotopische Masse
- 262,02400519
Namen und Bezeichner
- Bevorzugter Name
- 2,2,3,3,4,4,5,5-Octafluorohexane-1,6-diol
- IUPAC
- 2,2,3,3,4,4,5,5-octafluorohexane-1,6-diol
- Englischer Name
- 2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol
- Summenformel
- C6H6F8O2
- Molmasse
- 262.1
Namen und Synonyme
2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol2,2,3,3,4,4,5,5-octafluorohexane-1,6-diolNHEKBXPLFJSSBZ-UHFFFAOYSA-RefChem:440609670-345-5InChI=1/C6H6F8O2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16/h15-16H,1-2H2355-74-81,6-Dihydroxy-2,2,3,3,4,4,5,5-octafluorohexane1,6-Hexanediol, 2,2,3,3,4,4,5,5-octafluoro-1h,1h,6h,6h-perfluoro-1,6-hexanediolMFCD00069087C6H6F8O2
Weitere Namen anzeigen
Octafluoro-1,6-hexanediol1H,1H,6H,6H-OCTAFLUOROHEXANE-1,6-DIOL2,2,3,3,4,4,5,5-octafluoro-1,6-hexyldiol(1E)-1-[(E)-3-phenylprop-2-enylidene]indene
DTXSID60188999BP-21497BS-22777SY0501832,2,3,3,4,4,5,5-octafluorohexan-1,6-diol1H,1H,6H,6H-Perfluorohexane-1,6-diolFT-0609067A822878
Datenbank-Bezeichner
- CAS
355-74-8- PubChem CID
- 136181
- DTXSID
DTXSID60188999- EC Number
- 670-345-5
- Nikkaji
- J740.987G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,5
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 10
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 225
Experimentelle und physikochemische Eigenschaften
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
Physikochemische Eigenschaften
- Schmelzpunkt
- 66 · 66-70 °C(lit.)
- Siedepunkt
- 100 °C3 · 100 °C3 mm Hg(lit.)
- Dichte
- 1.4712 · 1.4712 (estimate)
- Flammpunkt
- 100 °C/3mm · 100°C/3mm
- pka
- 12.62 · 12.62±0.10(Predicted)
- Aggregatzustand
- powder to crystal
- Farbe
- White to Light yellow to Light orange
- Wasserlöslichkeit
- Soluble in water.
- BRN
- 1784039 · 1784039
- Stabilität
- Stable. Incompatible with strong bases, strong oxidizing agents.
- InChI
- InChI=1S/C6H6F8O2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16/h15-16H,1-2H2
- InChIKey
- NHEKBXPLFJSSBZ-UHFFFAOYSA-N
- SMILES
- C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO
- CAS Datenbank
- 355 · 355-74-8(CAS DataBase Reference)
- EPA chemische Informationen
- 1 H,1H,6H,6H-Perfluoro-1,6-hexanediol · 1H,1H,6H,6H-Perfluoro-1,6-hexanediol (355-74-8)
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
Warning
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (16.7%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29055900
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xn,Xi
- safety_code
- 22-24/25-37-26
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Anwendungen
Verwenden2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol is used as a pharmaceutical intermediate.
Anbieter82 Anbieter
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