4-Fluorphenol

Fluorophenol · P-FLUOROPHENOL · FPO · 4-F-PhOH · p-Fluorohenol · 4-Fluorphenol · p-Fluorphenol · 4-FLUOROPHENOL

Identifikatoren & physikalische Daten

CAS No.	371-41-5
Summenformel	C6H5FO
Durchschnittliche Molmasse	112,1 g/mol
Monoisotopische Masse	112,032443 g/mol
SMILES	Oc1ccc(F)cc1
InChIKey	RHMPLDJJXGPMEX-UHFFFAOYSA-N
PubChem CID	9732
ChEMBL	CHEMBL56226
ChEBI	CHEBI:42533
EC No.	206-736-0
DTXSID	DTXSID0052047
Lokaler Name	4-Fluorphenol

Chemische & physikalische Eigenschaften

XLogP	1,8
Polarare Oberfläche (TPSA)	20,2
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	8
Formalladung	0
Komplexität	66,9
Stoffklassen	Other Classes -> Phenols
PFAS	PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
LogP (Verteilungskoeffizient)	1.71
Dampfdruck	1.19 [mmHg]
Physical Description	White crystalline solid with an odor like phenol[Alfa Aesar MSDS]
Schmelzpunkt	43-46 °C (lit.)
Siedepunkt	185 °C (lit.)
Dichte	1.22
Flammpunkt	155 °F
Lagerbedingungen	Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit	80g/l50 g/L
Aggregatzustand	Crystalline Solid
pKa (Säurekonstante)	9.89(at 25℃)
Farbe	Yellow-beige to pink
pH	5.4 (H2O, 20℃)(saturated aqueous solution)
BRN	1362752
Henry-Konstante	1.4×101 mol/(m3Pa) at 25℃, Abraham et al. (1994)
Stabilität	Stable. Flammable. Incompatible with strong oxidizing agents.
InChI	1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H
InChIKey	RHMPLDJJXGPMEX-UHFFFAOYSA-N
SMILES	Oc1ccc(F)cc1
CAS Datenbank	371-41-5(CAS DataBase Reference)
NIST chemische Informationen	Phenol, 4-fluoro-(371-41-5)
EPA chemische Informationen	Phenol, 4-fluoro- (371-41-5)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302 (98.2%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P273, 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 112 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Chemical: Phenol, 4-fluoro-Status: Active Update: 23-09-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/121024-Fluorophenol: Does not have an individual approval but may be used under an appropriate group standard
Gefahrenübersicht	Intraperitoneal LD50 (mouse) = 312 mg/kg[RTECS] Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsHarmful by ingestion and skin absorption[Alfa Aesar MSDS] See Phenol. See p-Iodoophenol.
Hazard Classes and Categories	Acute Tox. 4 (98.2%)
Unerwünschte Wirkungen	Dermatotoxin - Skin burns.
F	10-23
Wassergefährdungsklasse (WGK)	1
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	UN 2928 6.1/PG 2
Zollcode	29081000
RTECS-Nr.	SL4550000
R-Sätze (R)	20/21/22-36/37/38-52/53
Gefahrensymbole	Xn,C,T,F+
hazard_note	Corrosive/Harmful
Sicherheitshinweise (S)	26-37/39-61-36
Gefahrenklasse	6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Skin Irrit. 2
Verpackungsgruppe	III
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Beschreibung

Das 4-Fluorphenol bildet farblose, wasserunlösliche, unangenehm anhaftend riechende Kristalle. Die Verbindung besitzt nur wissenschaftliches Interesse.

Verwenden

4-Fluorophenol is a fluorinated phenolic compound with various applications as a starting reagent for synthesizing pharmaceuticals. It is a widely used intermediate in the industrial production of several drugs, including cisapride and Sabeluzole by Janssen, Sorbinil by Pfizer, and Progabide by Synthelabo.

Herstellung & Synthese

synthetische

Acetyl hypofluorite also will fluoro-demetallate benzene derivatives, for example mercury derivatives of phenol gave 4-fluorophenol.