2,4-Difluorphenol

2,4-Difluorophenol

HCID 123051

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Grundinformationen

CAS: 367-27-1
Standard-SMILES: Oc1ccc(F)cc1F
InChIKey: NVWVWEWVLBKPSM-UHFFFAOYSA-N
Summenformel: C6H4F2O
Durchschnittliche Molmasse: 130,09 g/mol
Monoisotopische Masse: 130,02302119

Namen und Bezeichner

Bevorzugter Name: 2,4-Difluorophenol
IUPAC: 2,4-difluorophenol
Lokaler Name: 2,4-Difluorphenol
Englischer Name: 2,4-Difluorophenol
Summenformel: C6H4F2O
Molmasse: 130.09

Namen und Synonyme

2,4-Difluorophenol367-27-1Phenol, 2,4-difluoro-EINECS 206-688-0AI3-62833NVWVWEWVLBKPSM-UHFFFAOYSA-DTXSID50190142RefChem:82427DTXCID60112633206-688-0InChI=1/C6H4F2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9HNVWVWEWVLBKPSM-UHFFFAOYSA-N

Weitere Namen anzeigen

4-Difluorophenol2,4-Difluorophenol>Phenol, 2,4-difluoro-2,4-Difluorophenol 98%2,4- twodifluoro phenol2,4-Difluorophenol, 99+%2,4-Difluorophenol, 98+%2,4-Difluorophenol (ACI)2,4-Difluorophenol ISO 9001：2015 REACH

MFCD000097152.4-difluorophenol2,4difluorophenol2,4-diflurophenol2,4 difluorophenol2, 4 difluorophenol2,4 difluoro phenol2,4-di-fluorophenol

Datenbank-Bezeichner

CAS: 367-27-1
PubChem CID: 123051
DTXSID: DTXSID50190142
ChEMBL: CHEMBL395171
EC Number: 206-688-0
Nikkaji: J193.876B

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: 97,1

Experimentelle und physikochemische Eigenschaften

LogP1.9

Physikochemische Eigenschaften

Schmelzpunkt: 22.4 °C · 22.4 °C (lit.)
Siedepunkt: 52 · 52-53 °C/19 mmHg (lit.)
Dichte: 1.362 g/mL · 1.362 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.486(lit.)
Flammpunkt: 134 °F · 134 °F
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: powder to lump to clear liquid
pka: 8.72 · 8.72±0.18(Predicted)
Farbe: White or Colorless to Yellow
Wichte: 1.362 · 1.362
Wasserlöslichkeit: slightly soluble
BRN: 1934803 · 1934803
InChI: 1S/C6H4F2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKey: NVWVWEWVLBKPSM-UHFFFAOYSA-N
SMILES: Oc1ccc(F)cc1F
CAS Datenbank: 367 · 367-27-1(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2,4-Difluorophenol(367-27-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
ridadr: 1992
hs_code: 29081000
risk_code: 20/21/22-37/38-41-34-11-36/37/38
hazard_code: Xn,Xi,C,F
hazard_note: Harmful
safety_code: 26-36/37/39-45-16
hazard_class: 3
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,4-Difluorophenol, is an organic building block used for the synthesis of various pharmaceutical compounds, such as antivirulence agents. It is also used in the synthesis of new α-Phenoxyacetamide derivatives, acting as type III secretion system of Pseudomonas aeruginosa PAO1, a gram-negative bacteria.