Ethanone, 1-(7-methoxy-2-benzofuranyl)-

HCID 39378

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Grundinformationen

CAS: 43071-52-9
Standard-SMILES: COc1cccc2cc(C(C)=O)oc12
InChIKey: MUUMFANQVPWPFY-UHFFFAOYSA-N
Summenformel: C11H10O3
Durchschnittliche Molmasse: 190,19 g/mol
Monoisotopische Masse: 190,06299418

Namen und Bezeichner

Bevorzugter Name: Ethanone, 1-(7-methoxy-2-benzofuranyl)-
IUPAC: 1-(7-methoxy-1-benzofuran-2-yl)ethanone
Englischer Name: 2-ACETYL-7-METHOXYBENZOFURAN
Summenformel: C11H10O3
Molmasse: 190.2

Namen und Synonyme

43071-52-9Ethanone, 1-(7-methoxy-2-benzofuranyl)-1-(7-Methoxy-2-benzofuranyl)ethanone1-(7-methoxy-1-benzofuran-2-yl)ethan-1-one7-Methoxy-2-benzofuranyl methyl ketoneBRN 0156263KETONE, 7-METHOXY-2-BENZOFURANYL METHYLDTXSID701956744-18-00-00361 (Beilstein Handbook Reference)RefChem:592514DTXCID10118165Ethanone, 1-(7-methoxy-2-benzofuranyl)-(9CI)

Weitere Namen anzeigen

2-ACETYL-7-METHOXYCOUMARONE7-Methoxy-2-acetylbenzofuran2-Acetyl-7-methoxybenzofuran>2-Acetyl-7-methoxybenzofuran,98%2-Acetyl-7-methoxybenzofuran,97%1-(7-methoxy-2-benzofuranyl)-ethanon7-methoxy-2-benzofuranylmethylketone

670-499-32-Acetyl-7-methoxybenzofuran1-(7-methoxybenzofuran-2-yl)ethanone1-(7-Methoxy-1-benzofuran-2-yl)ethanone1-(7-Methoxybenzofuran-2-yl)ethan-1-one2-acetyl-7-methoxybenzo[b]furanMFCD000169111-(7-Methoxy-1-benzofuran-2-yl)-1-ethanone

Datenbank-Bezeichner

CAS: 43071-52-9
PubChem CID: 39378
DTXSID: DTXSID70195674
ChEMBL: CHEMBL1570795
ChEBI: CHEBI:194599
EC Number: 670-499-3
Nikkaji: J37.040A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 39,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 227

Physikochemische Eigenschaften

Schmelzpunkt: 94 · 94-96 °C(lit.)
Siedepunkt: 180 °C · 180 °C / 15mmHg
Dichte: 1.1752 · 1.1752 (rough estimate)
Brechungsindex: 1.5854 · 1.5854 (estimate)
storage temp.: 2 · Storage temp. 2-8°C
Aggregatzustand: powder to crystal
Farbe: White to Amber
CAS Datenbank: 43071 · 43071-52-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.