(E)-Chalkon

Chalcone

HCID 637760CAS 614-47-1
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Grundinformationen

Standard-SMILES
O=C(/C=C/c1ccccc1)c1ccccc1
InChIKey
DQFBYFPFKXHELB-VAWYXSNFSA-N
Summenformel
C15H12O
Durchschnittliche Molmasse
208,25 g/mol
Monoisotopische Masse
208,088815

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
5S5A2Q39HX
EC Number
202-330-2、210-383-8
Nikkaji
J151.129G、J4.699J

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

Experimentelle und physikochemische Eigenschaften

LogP4.018
Boiling Point346.50 °C. @ 760.00 mm Hg
Melting Point57.5 °C
Vapor Pressure0.000107 [mmHg]
Physical Description · 2 Einträge

Yellow powder; [Alfa Aesar MSDS]

Solid

Kovats Retention Index1970.6

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

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

This chemical does not meet GHS hazard criteria for 11.1% (5 of 45) of reports.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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 · 1 Eintrag

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 · 2 Einträge

Acute Tox. 4 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Acute Tox. 4 (86.7%)；Eye Irrit. 2 (88.9%)；STOT SE 3 (86.7%)

Regulatorische Informationen

Regulatory Information · 2 Einträge

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

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

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
上海伟聂化工科技有限公司13046668259 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]

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