4-Fluor-4'-hydroxybenzophenon

4-Fluoro-4'-hydroxybenzophenone

HCID 117666CAS 25913-05-7

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Grundinformationen

Standard-SMILES: O=C(c1ccc(O)cc1)c1ccc(F)cc1
InChIKey: HLRVUOFDBXRZBI-UHFFFAOYSA-N
Summenformel: C13H9FO2
Durchschnittliche Molmasse: 216,21 g/mol
Monoisotopische Masse: 216,05865775

Überblick

4-fluoro-4'-hydroxybenzophenone is a member of the class of benzophenones that is phenol substituted by a 4-fluorobenzoyl group at position 4. It has a role as a plant metabolite. It is a member of benzophenones, a member of phenols and a member of monofluorobenzenes.

Namen und Bezeichner

Bevorzugter Name: 4-Fluoro-4'-hydroxybenzophenone
IUPAC: (4-fluorophenyl)-(4-hydroxyphenyl)methanone
Lokaler Name: 4-Fluor-4'-hydroxybenzophenon
Englischer Name: 4-Fluoro-4'-hydroxybenzophenone
Summenformel: C13H9FO2
Molmasse: 216.21

Namen und Synonyme

25913-05-74-Fluoro-4'-hydroxybenzophenone4-(4-fluorobenzoyl)phenolMethanone, (4-fluorophenyl)(4-hydroxyphenyl)-DTXSID90180587EINECS 247-340-8CHEBI:176638(4-luorophenyl)-(4-hydroxyphenyl)methanoneRefChem:989884-(p-fluorobenzoyl)phenolp-(4-fluorobenzoyl)phenolDTXCID30103078

Weitere Namen anzeigen

4''-Fluoro-4-LABOTEST-BB LT000534904-Fluoro-4'-hydroxybenzophenone>4-FLUORO-4''-HYDROXYBENZOPHENONE 98+%4-Hydroxyphenyl(4-fluorophenyl)methanone(4-Fluorophenyl)(4-hydroxyphenyl) ketone(4-fluorophenyl)(4-hydroxyphenyl)methylone

1-(4-fluorophenyl)-1-(4-hydroxyphenyl)methanone247-340-8HLRVUOFDBXRZBI-UHFFFAOYSA-N(4-Fluorophenyl)(4-hydroxyphenyl)methanone4-Fluoro-4'-hydroxybenzopheone(4-fluorophenyl)-(4-hydroxyphenyl)methanoneMFCD000114844-fluorophenyl 4-hydroxyphenyl ketone

Datenbank-Bezeichner

CAS: 25913-05-7
PubChem CID: 117666
DTXSID: DTXSID90180587
ChEMBL: CHEMBL1650274
ChEBI: CHEBI:176638
EC Number: 247-340-8
Nikkaji: J208.530E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 238

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Benzophenones

Endocrine DisruptorsPotential endocrine disrupting compound

Physical DescriptionSolid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 164 · 164-167 °C(lit.)
Siedepunkt: 374.3 · 374.3±27.0 °C(Predicted)
Dichte: 1.27 · 1.270±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Aggregatzustand: powder to crystal
pka: 7.77 · 7.77±0.15(Predicted)
Farbe: White to Light yellow to Light orange
CAS Datenbank: 25913 · 25913-05-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29147000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-24/25
hazard_class: IRRITANT

Chemie und Industrie

Darstellung

synthetischePreparation by reaction of p-fluorobenzoyl chloride with phenol, in the presence of aluminium chloride; in the presence of boron trifluoride in hydrofluoric acid (83%).