4-Bromo-2-fluorophenol

HCID 2724981CAS 2105-94-4

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Grundinformationen

Standard-SMILES: Oc1ccc(Br)cc1F
InChIKey: RYVOZMPTISNBDB-UHFFFAOYSA-N
Summenformel: C6H4BrFO
Durchschnittliche Molmasse: 191 g/mol
Monoisotopische Masse: 189,94295507

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-2-fluorophenol
IUPAC: 4-bromo-2-fluorophenol
Englischer Name: 4-Bromo-2-fluorophenol
Summenformel: C6H4BrFO
Molmasse: 191

Namen und Synonyme

4-Bromo-2-fluorophenol2105-94-4Phenol, 4-bromo-2-fluoro-RYVOZMPTISNBDB-UHFFFAOYSA-DTXSID90175271RefChem:98081DTXCID8097762606-697-3InChI=1/C6H4BrFO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H2-Fluoro-4-Bromophenol4-bromo-2-fluoro-phenolMFCD00011722

Weitere Namen anzeigen

4-Bromo-2-fluorophen4-Brom-2-Fluorphenol2-Fluor-4 bromophenol2-Fluoro-4-BroMophonel2-Bromo-2-fluorophenol4-Bromo-2-fluorophenol98%4-Bromo-2-fluorophenol >

4-bromo-2-fluoro phenolp-bromo-o-fluorophenol4-Bromo-2-fluorophenol, 98%AKOS000120560PS-8371BCP059072-fluoro-4-bromo phenolA4565

Datenbank-Bezeichner

CAS: 2105-94-4
PubChem CID: 2724981
DTXSID: DTXSID90175271
EC Number: 606-697-3
Nikkaji: J598.256A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 99,1

Physikochemische Eigenschaften

Siedepunkt: 79 °C/7 · 79 °C/7 mmHg (lit.)
Dichte: 1.744 g/mL · 1.744 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.566(lit.)
Flammpunkt: 210 °F · 210 °F
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Liquid
pka: 8.14 · 8.14±0.18(Predicted)
Wichte: 1.744 · 1.744
Farbe: Clear colorless to brown
BRN: 1861281 · 1861281
InChI: InChI=1S/C6H4BrFO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKey: RYVOZMPTISNBDB-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(Br)C=C1F
CAS Datenbank: 2105 · 2105-94-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 4% (2 of 50) of reports.

Warning

H302 (16%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 19-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22431

Hazard Classes and CategoriesAcute Tox. 4 (16%)

Sicherheitsdaten

wgk: 3
hs_code: 29071990
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-37/39-36/37/39
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Bromo-2-fluorophenol can be used as a starting material for the synthesis of:4-Bromo-2-fluoro-6-iodoanisole via iodination and methylation.2-Phenylpyran-4-ones for active cyclooxygenase-2 inhibitor evaluation.1,4-Disubstituted 3-cyano-2-pyridones.Dicationic imidazolium-based compounds.