4-Hydroxybenzophenon
4-Hydroxybenzophenone
Grundinformationen
- CAS
1137-42-4- Standard-SMILES
O=C(c1ccccc1)c1ccc(O)cc1- InChIKey
NPFYZDNDJHZQKY-UHFFFAOYSA-N- Summenformel
- C13H10O2
- Durchschnittliche Molmasse
- 198,22 g/mol
- Monoisotopische Masse
- 198,06807956
Überblick
4-Hydroxybenzophenone is a member of benzophenones.
Namen und Bezeichner
- Bevorzugter Name
- 4-Hydroxybenzophenone
- IUPAC
- (4-hydroxyphenyl)-phenylmethanone
- Lokaler Name
- 4-Hydroxybenzophenon
- Englischer Name
- 4-Hydroxybenzophenone
- Summenformel
- C13H10O2
- Molmasse
- 198.22
Namen und Synonyme
4-Hydroxybenzophenone1137-42-4p-BenzoylphenolMethanone, (4-hydroxyphenyl)phenyl-P-HYDROXYBENZOPHENONE(4-Hydroxyphenyl)phenylmethanoneDTXSID5036684para-hydroxybenzophenone(4-hydroxyphenyl)-phenyl-methanone04R2LWS0MSNSC-1887DTXCID3016684
Weitere Namen anzeigen
POB(4-hydroxyphenyl)phenyl-methanon4-Hydroxydiphenylketone4',2,4-trimethoxy benzophenoneNSC 1887ENCL-001benzoylphenolOspemifene INT
RefChem:99276214-507-14-Benzoylphenol(4-Hydroxyphenyl)(phenyl)methanoneBenzophenone, 4-hydroxy-4-HYDROXY-BENZOPHENONE(4-hydroxyphenyl)-phenylmethanoneMFCD00002355
Datenbank-Bezeichner
- CAS
1137-42-4- PubChem CID
- 14347
- DTXSID
DTXSID5036684- ChEMBL
CHEMBL194487- ChEBI
CHEBI:34421- UNII
- 04R2LWS0MS
- EC Number
- 214-507-1
- Nikkaji
- J94.835G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 211
Experimentelle und physikochemische Eigenschaften
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP2.91
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Schmelzpunkt
- 132 · 132-135 °C(lit.)
- Siedepunkt
- 260 · 260-262°C 42mm
- Dichte
- 1.1184 · 1.1184 (rough estimate)
- Dampfdruck
- 0 Pa · 0Pa at 20℃
- Brechungsindex
- 1.5954 · 1.5954 (estimate)
- Flammpunkt
- 260 · 260-262°C/24mm
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Powder
- pka
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 4.7% (9 of 191) of reports.
Warning
H315 (29.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P273, 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 191 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Methanone, (4-hydroxyphenyl)phenyl-
REACH registered substance: 4-hydroxybenzophenone (EC: 214-507-1)
Methanone, (4-hydroxyphenyl)phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (29.8%)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29145000
- RTECS-Nr.
- PC4959775
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37-24/25-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites4-Hydroxybenzophenone has known human metabolites that include (2S,3S,4S,5R)-6-(4-Benzoylphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.
Verwendung und Herstellung
General Manufacturing InformationMethanone, (4-hydroxyphenyl)phenyl-: ACTIVE
Anwendungen
Verwenden4-Hydroxybenzophenone is used in the field of organic synthesis. It is used as pharmaceutical intermediate of clomifene citrate.
Darstellung
synthetischePreparation by condensation of benzotrichloride, with phenol in the presence of aluminium chloride in carbon disulfide at 0° (90%) or in the presence of zinc oxide in a water bath; with p-bromophenol in 30% sodium hydroxide solution at 80–85° (81%). There is substitution of the bromine atom by the benzoyl group.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
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