4,4,5,5,5-Pentafluoropentan-1-ol
Grundinformationen
- CAS
148043-73-6- Standard-SMILES
OCCCC(F)(F)C(F)(F)F- InChIKey
QROUUECTKRZFHF-UHFFFAOYSA-N- Summenformel
- C5H7F5O
- Durchschnittliche Molmasse
- 178,1 g/mol
- Monoisotopische Masse
- 178,04170594
Namen und Bezeichner
- Bevorzugter Name
- 4,4,5,5,5-Pentafluoropentan-1-ol
- IUPAC
- 4,4,5,5,5-pentafluoropentan-1-ol
- Englischer Name
- 4,4,5,5,5-Pentafluoro-1-pentanol
- Summenformel
- C5H7F5O
- Molmasse
- 178.1
Namen und Synonyme
4,4,5,5,5-Pentafluoro-1-pentanol4,4,5,5,5-Pentafluoropentan-1-olEC 421-360-9RefChem:506993421-360-9604-621-3148043-73-6pentafluoropentanol1-Pentanol, 4,4,5,5,5-pentafluoro-4,4,5,5,5-pentafluoropentanolMFCD001532243-(Perfluoroethyl)propanol
Weitere Namen anzeigen
Fulvestrant Impurity 31Fulvestrant InterMediatesFulvestrant intermediate C1,1,5,5,5-pentafluoro-1-pentanol1-Pentanol,4,4,5,5,5-pentafluoro-4,4,5,5,5-Pentafluoropentan-1-ol96%
SCHEMBL3384074,4,5,5,5-pentafluoropentyl alcohol4,4,5,5,5-Pentafluoro-1-pentanol, 95%P1342FT-0616981Fulvestrant Impurity 114,4,5,5,5-pentafluoSCHEMBL866586
Datenbank-Bezeichner
- CAS
148043-73-6- PubChem CID
- 547967
- DTXSID
DTXSID70869964- ChEMBL
CHEMBL4552519- EC Number
- 421-360-9、604-621-3
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 119
Experimentelle und physikochemische Eigenschaften
PFAS
PFAS -> Other/unspecified
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PFAS -> Other/unspecified
Physikochemische Eigenschaften
- Siedepunkt
- 62 · 62-64 °C35 mm Hg(lit.)
- Dichte
- 1.35 g/mL · 1.35 g/mL at 25 °C(lit.)
- Dampfdruck
- 1.1 · 1.1-155.2hPa at 25-80.3℃
- Brechungsindex
- 20 · n20/D 1.33(lit.)
- Flammpunkt
- 145 °F · 145 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform
- pka
- 14.77 · 14.77±0.10(Predicted)
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless
- InChI
- InChI=1S/C5H7F5O/c6-4(7,2-1-3-11)5(8,9)10/h11H,1-3H2
- InChIKey
- QROUUECTKRZFHF-UHFFFAOYSA-N
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: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Warning
H302 (31.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 09-02-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/18958
Hazard Classes and Categories
Flam. Liq. 3 (48.5%)
Acute Tox. 4 (31.6%)
Acute toxicity - category 4
Acute Tox. 4 *
Sicherheitsdaten
- wgk
- 2
- ridadr
- 1993
- hs_code
- 29055900
- risk_code
- 36-36/37/38
- hazard_code
- Xi,F
- hazard_note
- Irritant
- safety_code
- 26-36
- hazard_class
- FLAMMABLE
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3
Chemie und Industrie
Anwendungen
Beschreibung4,4,5,5,5-Pentafluoro-1-pentanol (PFP; Pentafluoropentanol) is an essential building block primarily used in the commercial manufacture of the API. It is typically activated with a sulfonate leaving group and displaced selectively by the sulfur atom in 9-mercapto-1-nonanol to make 9-[(4,4,5,5,5-pentafluoropentyl)-thio]-1-nonanol (FVS). FVS is subsequently converted into a bromide and coupled with the steroid portion to make fulvestrant. First approved by the FDA in 2002, fulvestrant is a medication used to treat hormone receptor (HR)-positive metastatic breast cancer in postmenopausal women with disease progression.
Verwenden4,4,5,5,5-Pentafluoro-1-pentanol may be used in the preparation of chlorine-capped telechelic poly(methyl methacrylate)s.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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