4-Hydroxybenzophenon

4-Hydroxybenzophenone

HCID 14347CAS 1137-42-4
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Grundinformationen

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)phenylmethanoneDTXSID5036684(4-hydroxyphenyl)-phenyl-methanone04R2LWS0MSNSC-1887DTXCID3016684para-hydroxybenzophenone
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)-phenylmethanone4'-Hydroxybenzophenone

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

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties13C nuclear magnetic resonance spectrum
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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 · 3 Einträge

Chemical: Methanone, (4-hydroxyphenyl)phenyl-

Status: Active Update: 09-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/28385

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

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 · 1 Eintrag

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

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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