Benzyl 2,4-Dihydroxyphenyl Ketone
Grundinformationen
- CAS
3669-41-8- Standard-SMILES
O=C(Cc1ccccc1)c1ccc(O)cc1O- InChIKey
VFQKAJVKZKHVPD-UHFFFAOYSA-N- Summenformel
- C14H12O3
- Durchschnittliche Molmasse
- 228,24 g/mol
- Monoisotopische Masse
- 228,07864424
Namen und Bezeichner
- Bevorzugter Name
- Benzyl 2,4-Dihydroxyphenyl Ketone
- IUPAC
- 1-(2,4-dihydroxyphenyl)-2-phenylethanone
- Englischer Name
- 2',4'-Dihydroxy-2-phenylacetophenone
- Summenformel
- C14H12O3
- Molmasse
- 228.24
Namen und Synonyme
3669-41-81-(2,4-Dihydroxyphenyl)-2-phenylethanoneBenzyl 2,4-dihydroxyphenyl ketone2',4'-Dihydroxy-2-phenylacetophenone1-(2,4-dihydroxyphenyl)-2-phenylethan-1-one2,4-dihydroxydeoxybenzoinNML2DHF9LZDTXSID801901352,4-dihydroxyphenyl benzyl ketoneNSC 105542NSC-1055422,4-DIHYDROXYDESOXYBENZOIN
Weitere Namen anzeigen
AURORA 15288TIMTEC-BB SBB008378OTAVA-BB BB0107930004ALPHA-PHENYLRESACETOPHENONE4'-Dihydroxy-2-phenylacetophenoneα-Phenyl-2',4'-dihydroxyacetophenone2',4'-Dihydroxy-α-phenylacetophenone2-Phenyl-2',4'-dihydroxyacetophenone
4-(PHENYLACETYL)RESORCINOL.OMEGA.-PHENYLRESACETOPHENONEEthanone, 1-(2,4-dihydroxyphenyl)-2-phenyl-RefChem:566574DTXCID90112626OMEGA-PHENYLRESACETOPHENONE623-001-3928-075-3
Datenbank-Bezeichner
- CAS
3669-41-8- PubChem CID
- 138005
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 258
Experimentelle und physikochemische Eigenschaften
LogP3.09
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Schmelzpunkt
- 112 · 112-116 °C(lit.)
- Siedepunkt
- 225 °C/10mmHg · 225°C/10mmHg(lit.)
- Dichte
- 1.278 · 1.278±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- powder to crystal
- pka
- 7.74 · 7.74±0.35(Predicted)
- Farbe
- White to Light yellow to Light orange
- InChI
- 1S/C14H12O3/c15-11-6-7-12(14(17)9-11)13(16)8-10-4-2-1-3-5-10/h1-7,9,15,17H,8H2
- InChIKey
- VFQKAJVKZKHVPD-UHFFFAOYSA-N
- SMILES
- Oc1ccc(c(O)c1)C(=O)Cc2ccccc2
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
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29145000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden1-(2,4-Dihydroxyphenyl)-2-phenylethanone is used in preparation of substituted pyrazoles, pyrimidines, triazoles and related heterocycles as c-MYC targeting agents for treatment of cancer and other proliferative diseases.
Darstellung
synthetischePreparation by Friedel–Crafts acylation of resorcinol with phenylacetyl chloride in the presence of aluminium chloride, in methylene chloride (85%) ; in nitrobenzene at 70–80° for 15 min ( in ethyl ether at r.t. for 24 h (43%).
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter50 Anbieter
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海达立康医药科技有限公司18658316824 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
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