(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)keton
(2-Butylbenzofuran-3-yl) (4-hydroxyphenyl) ketone
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Grundinformationen
- CAS
52490-15-0- Standard-SMILES
CCCCc1oc2ccccc2c1C(=O)c1ccc(O)cc1- InChIKey
ZHGKQUXXASLVQQ-UHFFFAOYSA-N- Summenformel
- C19H18O3
- Durchschnittliche Molmasse
- 294,3 g/mol
- Monoisotopische Masse
- 294,12559443
Namen und Bezeichner
- Bevorzugter Name
- (2-Butylbenzofuran-3-yl) (4-hydroxyphenyl) ketone
- IUPAC
- (2-butyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone
- Lokaler Name
- (2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)keton
- Englischer Name
- 2-Butyl-3-(4-hydroxybenzoyl)benzofuran
- Summenformel
- C19H18O3
- Molmasse
- 294.34
Namen und Synonyme
(2-Butylbenzofuran-3-yl) (4-hydroxyphenyl) ketoneRefChem:39555852490-15-02-Butyl-3-(4-hydroxybenzoyl)benzofuran(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)methanoneAmiodarone EP Impurity E4-(2-butyl-1-benzofuran-3-carbonyl)phenolMFCD00040947Methanone, (2-butyl-3-benzofuranyl)(4-hydroxyphenyl)-(2-Butyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanoneL-3372(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone
Weitere Namen anzeigen
NSC 85438AMIODARONE EP IMP E-3-(4-hydroxybenzoyLAMiodarone Related CoMpound EAmiodarone USP Related Compound E(2-Butylbenzofuran-3-yl)(4-hydroxypAmiodarone Hydrochloride Impurity E2-Buty1-3-(4-hydroxybenzoy1)benzofuranAmiodarone Hydrochloride EP Impurity E
Amiodarone Impurity E(2-butyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone7PK1H9HDSTNSC85438NSC-85438(2-Butyl-1-benzofuran-3-yl)(4-hydroxyphenyl)-methanone2-Butyl-3-(4-hydroxybenzoyl)-benzofuranUNII-7PK1H9HDST
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 5,2
- Polarare Oberfläche (TPSA)
- 50,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 373
Physikochemische Eigenschaften
- Schmelzpunkt
- 119 °C · 119 °C
- Siedepunkt
- 490.6 · 490.6±40.0 °C(Predicted)
- Dichte
- 1.183 · 1.183
- storage temp.
- Refrigerator
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 7.69 · 7.69±0.15(Predicted)
- Farbe
- White to Off-White
- Major Application
- pharmaceutical small molecule
- InChI
- InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3
- InChIKey
- ZHGKQUXXASLVQQ-UHFFFAOYSA-N
- SMILES
- C(C1C2=CC=CC=C2OC=1CCCC)(C1=CC=C(O)C=C1)=O
- CAS Datenbank
- 52490 · 52490-15-0(CAS DataBase Reference)
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 1.5% (1 of 66) of reports.
H411 (95.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 66 reports by companies from 5 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1 of 66 reports by companies.；There are 4 notifications provided by 65 of 66 reports by companies with hazard statement code(s).；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.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 05-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17241
Hazard Classes and CategoriesAquatic Chronic 2 (95.5%)
Regulatorische Informationen
Regulatory InformationStatus: Active Update: 05-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17241
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2932996560
- hazard_class
Chemie und Industrie
Anwendungen
VerwendenInhibitor of enzyme
Anbieter100 Anbieter
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