2,6-Difluorphenol

2,6-Difluorophenol

HCID 94392CAS 28177-48-2

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Grundinformationen

Standard-SMILES: Oc1c(F)cccc1F
InChIKey: CKKOVFGIBXCEIJ-UHFFFAOYSA-N
Summenformel: C6H4F2O
Durchschnittliche Molmasse: 130,09 g/mol
Monoisotopische Masse: 130,02302119

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 2,6-Difluorophenol
IUPAC: 2,6-difluorophenol
Lokaler Name: 2,6-Difluorphenol
Englischer Name: 2,6-Difluorophenol
Summenformel: C6H4F2O
Molmasse: 130.09

Namen und Synonyme

2,6-Difluorophenol28177-48-2DTXSID00182456RefChem:83236DTXCID10104947248-884-9Phenol, 2,6-difluoro-MFCD000021582,6-Difluoro-phenol2.6-difluorophenol2,6-difluoro phenolFFP

Weitere Namen anzeigen

2,6-Difluorphenol2,6-Difluorophenol>2,6-Difluorophenol98%2,6-Difluorophenol 98%2,6-Difluorophenol, 95%2,6-DIFLUOROPHENOL: 96.5%2,6-Difluorophenol ISO 9001：2015 REACH2,6-Difluorophenol, 98%, for synthesis

EINECS 248-884-9SCHEMBL92712,6-Difluorophenol, 98%SCHEMBL331592SCHEMBL1035467SCHEMBL9993295CHEMBL1232721CKKOVFGIBXCEIJ-UHFFFAOYSA-

Datenbank-Bezeichner

CAS: 28177-48-2
PubChem CID: 94392
DTXSID: DTXSID00182456
ChEMBL: CHEMBL1232721
EC Number: 248-884-9
Nikkaji: J236.192B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 87,1

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesSchoenflies notation

LogP1.96

Physikochemische Eigenschaften

Schmelzpunkt: 38 · 38-41 °C (lit.)
Siedepunkt: 59 · 59-61 °C/17 mmHg (lit.)
Dichte: 1 · 1,27 g/cm3
Flammpunkt: 138 °F · 138 °F
storage temp.: 2 · 2-8°C
Löslichkeit: 50 mg/mL, · ethanol: soluble50mg/mL, clear, colorless to light yellow
Aggregatzustand: Crystalline Low Melting Solid
pka: 7.45 · 7.45±0.10(Predicted)
Farbe: Colorless
Wasserlöslichkeit: Slightly soluble in water. Soluble in ethanol.
BRN: 2043613 · 2043613
Henry's Law Constant: 7 · 7.0×10-1 mol/(m3Pa) at 25℃, Hilal et al. (2008)
InChI: InChI=1S/C6H4F2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKey: CKKOVFGIBXCEIJ-UHFFFAOYSA-N
SMILES: C1(O)=C(F)C=CC=C1F
CAS Datenbank: 28177 · 28177-48-2(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2,6-Difluorophenol(28177-48-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H228 (98%): Flammable solid [Danger Flammable solids]

P210, P240, P241, 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, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Sol. 1 (98%)

Sicherheitsdaten

F: 10
wgk: 3
ridadr: UN 1325 4.1/PG 2
hs_code: 29081000
risk_code: 11-36/37/38-20/21/22
hazard_code: F,Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39
hazard_class: 4.1
packing_group: II
Speicherklasse: 4.1B - Flammable solid hazardous materials
Hazard Classifications: Eye Irrit. 2Flam. Sol. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,6-Difluorophenol undergoes oxidative polymerization in the presence of the Fe-N,N-bis(salicylidene)ethylenediamine (salen) complex (catalyst) and hydrogen peroxide (oxidizing agent) to give poly(2,6-difluoro-1,4-phenylene oxide). It is also used as pharmaceutical intermediates.