2,3,4-Trifluorophenol

HCID 123174CAS 2822-41-5

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Grundinformationen

Standard-SMILES: Oc1ccc(F)c(F)c1F
InChIKey: IJGSULQFKYOYEU-UHFFFAOYSA-N
Summenformel: C6H3F3O
Durchschnittliche Molmasse: 148,08 g/mol
Monoisotopische Masse: 148,01359938

Namen und Bezeichner

Bevorzugter Name: 2,3,4-Trifluorophenol
IUPAC: 2,3,4-trifluorophenol
Englischer Name: 2,3,4-TRIFLUOROPHENOL
Summenformel: C6H3F3O
Molmasse: 148.08

Namen und Synonyme

2,3,4-TrifluorophenolPhenol,2,3,4-trifluoro-Phenol, 2,3,4-trifluoro-IJGSULQFKYOYEU-UHFFFAOYSA-DTXSID30182469RefChem:81316DTXCID90104960624-427-2IJGSULQFKYOYEU-UHFFFAOYSA-NInChI=1/C6H3F3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H2822-41-5trifluorophenol

Weitere Namen anzeigen

2,3,4-TrifL3-chloro-4-flurotoluene2,3,4-Trifluorophenol98%2,3,4-Trifluorophenol 98%2,3,4-Trifluorophenol,97%2,3,4-TRIFLUOROPHENOL ISO 9001：2015 REACH

MFCD000424262,3,4-Trifluorophenol Hydrate2,3,4-trifluoro-phenolSCHEMBL78856SCHEMBL155976SCHEMBL164243SCHEMBL160501312,3,4-Trifluorophenol, 97%

Datenbank-Bezeichner

CAS: 2822-41-5
PubChem CID: 123174
DTXSID: DTXSID30182469
EC Number: 624-427-2
Nikkaji: J432.239H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 120

Physikochemische Eigenschaften

Schmelzpunkt: 30 · 30-34 °C (lit.)
Siedepunkt: 69 °C/43 · 69 °C/43 mmHg (lit.)
Dichte: 1.46 g/mL · 1.46 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.465(lit.)
Flammpunkt: 138 °F · 138 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: powder to lump to clear liquid
Farbe: White or Colorless to Light orange to Yellow
Wichte: 1.46 · 1.460
Wasserlöslichkeit: 62.2 g/L · 62.2g/L(25 ºC)
BRN: 3245610 · 3245610
InChI: 1S/C6H3F3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
InChIKey: IJGSULQFKYOYEU-UHFFFAOYSA-N
SMILES: Oc1ccc(F)c(F)c1F
CAS Datenbank: 2822 · 2822-41-5(CAS DataBase Reference)
NIST chemische Informationen: 2 · Phenol,2,3,4-trifluoro-(2822-41-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H228 (97.9%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationPhenol, 2,3,4-trifluoro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Sol. 1 (97.9%)

Sicherheitsdaten

wgk: 3
ridadr: UN 1325 4.1/PG 2
hs_code: 29081000
risk_code: 20/21/22-36/37/38-34-11
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-36/37/39-45-16
hazard_class: 4.1
packing_group: III
Speicherklasse: 4.1B - Flammable solid hazardous materials
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Flam. Sol. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2,3,4-Trifluorophenol can be used as a supported catalyst for olefin polymerization and load methods. It can also be used as a resin compound for cladding of optical fiber.