(E)-Chalkon
Chalcone
Grundinformationen
- CAS
614-47-1- Standard-SMILES
O=C(/C=C/c1ccccc1)c1ccccc1- InChIKey
DQFBYFPFKXHELB-VAWYXSNFSA-N- Summenformel
- C15H12O
- Durchschnittliche Molmasse
- 208,25 g/mol
- Monoisotopische Masse
- 208,088815
Überblick
Chalcone is a member of the class of chalcones that is acetophenone in which one of the methyl hydrogens has been replaced by a benzylidene group. It has a role as a plant metabolite. It is a member of chalcones and a member of styrenes.
Namen und Bezeichner
- Bevorzugter Name
- Chalcone
- IUPAC
- (E)-1,3-diphenylprop-2-en-1-one
- Lokaler Name
- (E)-Chalkon
- Englischer Name
- trans-Chalcone
- Summenformel
- C15H12O
- Molmasse
- 208.26
Namen und Synonyme
Chalcone94-41-7BenzalacetophenoneBenzylideneacetophenoneChalkonePhenyl styryl ketoneCinnamophenone1,3-DIPHENYL-2-PROPEN-1-ONE(E)-1,3-diphenylprop-2-en-1-oneStyryl phenyl ketone3-Phenylacrylophenonebeta-Benzoylstyrene
Weitere Namen anzeigen
(E)-CHALCONEcone1,3-DIPHENYL-2-PROPENONE(2E)-1,3-DIPHENYLPROP-2-EN-1-ONE2-Propen-1-one, 1,3-diphenyl-, (E)-
2-Propen-1-one, 1,3-diphenyl-Benzylidene acetophenonebeta-PhenylacrylophenonePhenyl 2-phenylvinyl ketoneBenzylidenecetophenonealpha-Benzylideneacetophenone1,3-diphenylprop-2-en-1-onePhenyl (E)-2-phenylethenyl ketone
Datenbank-Bezeichner
- CAS
614-47-1、94-41-7- PubChem CID
- 637760
- DTXSID
DTXSID20873536- ChEMBL
CHEMBL7976- ChEBI
CHEBI:27618- UNII
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 242
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Aromatic Ketones
LogP4.018
Boiling Point346.50 °C. @ 760.00 mm Hg
Melting Point57.5 °C
Vapor Pressure0.000107 [mmHg]
Physical Description
Yellow powder; [Alfa Aesar MSDS]
Solid
Physikochemische Eigenschaften
- Schmelzpunkt
- 55 · 55-59 °C
- Siedepunkt
- 208 °C25 · 208 °C25 mm Hg(lit.)
- Dichte
- 1.0712 · 1.0712
- Brechungsindex
- 1.5361 · 1.5361 (estimate)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P319, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 72 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 11.1% (5 of 45) of reports.
Warning
Gefahrenhinweise
Regulatory Information
Chemical: 2-Propen-1-one, 1,3-diphenyl-
2-Propen-1-one, 1,3-diphenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes other liver changes and multiple enzyme effects in acute intraperitoneal studies of mice; Oral lethal-dose (rat) > 500 mg/kg; [RTECS] A skin irritant; [Merck Index] A skin and strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS]
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (86.7%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29143990
- RTECS-Nr.
- UD5576750
- risk_code
- 22-36/37
- hazard_code
- Xn,Xi
- safety_code
- 22-36/37/39-45
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
UsesNatural aromatic ketone utilized for the biosynthesis of flavones and as a template for bioactive substances known as chalcones; [Merck Index]
General Manufacturing Information2-Propen-1-one, 1,3-diphenyl-: ACTIVE
Anwendungen
Beschreibungtrans-Chalcone is an open chain flavonoid that may prevent lung and forestomach cancer.
Verwendentrans-Chalcone is a positive allosteric modulator of α7 nicotinic acetylcholine receptors and exhibits antioxidant activity.
Darstellung
synthetischetrans-Chalcones have been obtained in good yields and selectivities following an environmentally friendly methodology by using montmorillonite KSF as a reusable heterogeneous catalyst.Clay-catalysed solventless synthesis of trans-chalcones
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