(2-Butyl-5-nitrobenzofuran-3-yl)(4-(3-dibutylaminopropoxy)phenyl)methanone

HCID 10209258CAS 141645-23-0
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CCCCc1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
InChIKey
YIYARJKYRBMMJG-UHFFFAOYSA-N
Summenformel
C30H40N2O5
Durchschnittliche Molmasse
508,6 g/mol
Monoisotopische Masse
508,29372238

Namen und Bezeichner

Bevorzugter Name
(2-Butyl-5-nitrobenzofuran-3-yl)(4-(3-dibutylaminopropoxy)phenyl)methanone
IUPAC
(2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanone
Englischer Name
(2-Butyl-5-nitro-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]methanone
Summenformel
C30H40N2O5
Molmasse
508.65

Namen und Synonyme

141645-23-0EC 444-800-1(2-Butyl-5-nitrobenzofuran-3-yl)(4-(3-dibutylaminopropoxy)phenyl)methanone(2-butyl-5-nitrobenzofuran-3-yl)[4-(3-dibutylaminopropoxy)phenyl]methanoneRefChem:395556444-800-1(2-butyl-5-nitrobenzofuran-3-yl)(4-(3-(dibutylamino)propoxy)phenyl)methanone(2-Butyl-5-nitro-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]methanoneMethanone, (2-butyl-5-nitro-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]-MFCD18072491(2-butyl-5-nitro-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]phenyl]methanonedibutyl({3-[4-(2-butyl-5-nitro-1-benzofuran-3-carbonyl)phenoxy]propyl})amine
Weitere Namen anzeigen
Dronedarone Impurity DDronedaron Impurity D/ Dronadarone Nitro Impurity4-[(2-butyl-6-nitro-1-benzofuran-3-yl)carbonyl]phenol2-Butyl-3-(4-(3-dibutylaminopropoxy)benzoyl)-5-nitrobenzofuran2-Butyl-3-[4-(2-Dibutylaminopropoxy)benzoyl]-5-NitrobenzofuranMethanone, (2-butyl-5-nitro-3-benzofuranyl)[4-[3-(dibutylami...2-butyl-5-nitro-3-benzofuranyl)[4-[3-(dibutylaMino)propoxy]phenyl]-(2-Butyl-5-nitro-3-benzofuran) [4- [3- (F butylamino) propoxy] phenyl] ketone
2-Butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)-5-nitrobenzofuran2-butyl-3-(4-[3-(dibutylamino)propoxy]benzoyl)-5-nitrobenzofuran2-Butyl-3-(4-[3-(dibutylamino)propoxy]benzoyl]-5-nitrobenzofuran(2-Butyl-5-nitrobenzofuran-3-yl)[4-[3-(dibutylamino)propoxy]phenyl]methanoneC30H40N2O5SCHEMBL283110SCHEMBL30140813DTXSID40436748

Datenbank-Bezeichner

CAS
141645-23-0
PubChem CID
10209258
DTXSID
DTXSID40436748
EC Number
444-800-1
Nikkaji
J3.309.679H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
8,1
Polarare Oberfläche (TPSA)
88,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
16
Schwere Atome
37

Physikochemische Eigenschaften

Siedepunkt
638.1 · 638.1±55.0 °C(Predicted)
Dichte
1.109 · 1.109
storage temp.
2 · Storage temp. 2-8°C
pka
9.43 · 9.43±0.50(Predicted)
InChIKey
YIYARJKYRBMMJG-UHFFFAOYSA-N
SMILES
C(C1C2=CC([N+]([O-])=O)=CC=C2OC=1CCCC)(C1=CC=C(OCCCN(CCCC)CCCC)C=C1)=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H226: Flammable liquid and vapor [Warning Flammable liquids]；H302: Harmful if swallowed [Warning Acute toxicity, oral]；H315: Causes skin irritation [Warning Skin corrosion/irritation]；H317: May cause an allergic skin reaction [Warning Sensitization, Skin]；H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]；H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)

Danger

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 22-11-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/5054
Hazard Classes and Categories · 3 Einträge

Flam. Liq. 3 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Dam. 1 (100%)；STOT RE 2 (100%)；Aquatic Chronic 1 (100%)

Flammable liquid - category 3；Acute toxicity - category 4；Specific target organ toxicity (repeated exposure) - category 2；Skin irritation - category 2；Skin sensitisation - category 1；Hazardous to the aquatic environment (acute) - category 1；Hazardous to the aquatic environment (chronic) - category 1；Eye damage - category 1

Flam. Liq. 3；Acute Tox. 4 *；STOT RE 2 *；Skin Irrit. 2；Eye Dam. 1；Skin Sens. 1；Aquatic Acute 1；Aquatic Chronic 1

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 22-11-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/5054

Sicherheitsdaten

Alarmwort
Warnung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Anwendungen

Verwenden(2-Butyl-5-nitro-3-benzofuranyl)[4-[3-(dibutylamino)propoxy]phenyl]methanone is a synthetic intermediate for dronedarone hydrochloride and is mainly used in laboratory research and development and pharmaceutical synthesis.

Vor- und nachgelagerte Produkte

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陕西缔都新材料有限公司81124267 17392282731 · [email protected]
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济南百隆化学有限公司[email protected] · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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