Pentafluorphenol

Pentafluorophenol

HCID 13041CAS 771-61-9
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Grundinformationen

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

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:859814DTXCID1047946212-235-8PerfluorophenolC6HF5O
Weitere Namen anzeigen
PFPPFP-OHHOPFPPentaflurophenolPENTAFLUORPHENOLHPLH2)
MFCD00002156C6F5OH2,3,4,5,6-pentakis(fluoranyl)phenolpentafluorohydroxybenzeneUNII-A2YCF0YUHAEINECS 212-235-8NSC 216272,3,4,5,6-pentafluorohydroxybenzene

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

Experimentelle und physikochemische Eigenschaften

Physical DescriptionWhite crystalline solid with an odor of phenol; mp = 32-36 deg C; [Alfa Aesar MSDS]
Ionization Efficiency · 6 Einträge

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

GHS-Klassifizierung

GHS Classification · 6 Einträge

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]；H312 (24.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (13.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (69%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (70.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (70.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.；Reported as not meeting GHS hazard criteria per 4 of 58 reports by companies.；There are 11 notifications provided by 54 of 58 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 25-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/28416

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%)；Acute Tox. 4 (24.1%)；Skin Corr. 1B (13.8%)；Skin Irrit. 2 (69%)；Eye Irrit. 2 (70.7%)；STOT SE 3 (70.7%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

Regulatorische Informationen

Regulatory Information · 2 Einträge

Status: Active Update: 25-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/28416

Pentafluorophenol: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

F
3
wgk
3
tsca
TSCA listed
ridadr
2811
hs_code
29081000
RTECS-Nr.
SM6680000

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPhenol, 2,3,4,5,6-pentafluoro-: ACTIVE
Anwendungen · 1 Eintrag

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.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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