Pentafluorphenol
Pentafluorophenol
Grundinformationen
- CAS
771-61-9- Standard-SMILES
Oc1c(F)c(F)c(F)c(F)c1F- InChIKey
XBNGYFFABRKICK-UHFFFAOYSA-N- Summenformel
- C6HF5O
- Durchschnittliche Molmasse
- 184,06 g/mol
- Monoisotopische Masse
- 183,99475546
Überblick
RN given refers to parent cpd; structure given in first source
Namen und Bezeichner
- Bevorzugter Name
- Pentafluorophenol
- IUPAC
- 2,3,4,5,6-pentafluorophenol
- Lokaler Name
- Pentafluorphenol
- Englischer Name
- Pentafluorophenol
- Summenformel
- C6HF5O
- Molmasse
- 184.06
Namen und Synonyme
PENTAFLUOROPHENOL771-61-92,3,4,5,6-PentafluorophenolPhenol, pentafluoro-A2YCF0YUHANSC-21627DTXSID9061120RefChem:859814DTXCID1047946212-235-8PerfluorophenolMFCD00002156
Weitere Namen anzeigen
PFPPFP-OHHOPFPPentaflurophenolPENTAFLUORPHENOLHPLH2)
pentafluorohydroxybenzeneSofosbuvir Impurity 142,3,4,5,6-pentafluorohydroxybenzene2,3,4,5,6-pentakis(fluoranyl)phenolhydroxypentafluorobenzeneC6F5OHXBNGYFFABRKICK-UHFFFAOYSA-Phenol, 2,3,4,5,6-pentafluoro-
Datenbank-Bezeichner
- CAS
771-61-9- PubChem CID
- 13041
- DTXSID
DTXSID9061120- UNII
- A2YCF0YUHA
- EC Number
- 212-235-8
- Nikkaji
- J34.564D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 150
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Phenols
SpringerMaterials PropertiesBoiling point
LogP2.96
Physical DescriptionWhite crystalline solid with an odor of phenol; mp = 32-36 deg C; [Alfa Aesar MSDS]
Ionization Efficiency
Negative
0.91
10.5
Agilent XCT
Electrospray ionization
ammonia (10nM)
Physikochemische Eigenschaften
- Schmelzpunkt
- 34 · 34-36 °C (lit.)
- Siedepunkt
- 143 °C · 143 °C (lit.)
- Dichte
- 1.757 · 1.757
- Brechungsindex
- 1.427 · 1.4270
- Flammpunkt
- 162 °F · 162 °F
- storage temp.
- 30 °C · Store below +30°C.
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
This chemical does not meet GHS hazard criteria for 6.9% (4 of 58) of reports.
Danger
H302 (24.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 58 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
REACH registered substance: Pentafluorophenol (EC: 212-235-8)
Pentafluorophenol: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS] See 2-Fluorophenol. See Pentachlorophenol.
Hazard Classes and CategoriesAcute Tox. 4 (24.1%)
Toxikologische Informationen
Adverse EffectsDermatotoxin - Skin burns.
Sicherheitsdaten
- F
- 3
- wgk
- 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationPhenol, 2,3,4,5,6-pentafluoro-: ACTIVE
Anwendungen
VerwendenPentafluorophenol is used in the preparation of pentafluorophenyl esters for peptide synthesis and vulcanized polymers. It is also used for peptide coupling and heterocyclic acid derivatives. It is involved in the preparation of pentafluorophenyl formate which acts as a formulating agent for amines and amino acids.
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