2,3-Dihydrobenzofuran-5-carboxaldehyd

2,3-Dihydrobenzofuran-5-carboxaldehyde

HCID 735901CAS 55745-70-5

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Grundinformationen

Standard-SMILES: O=Cc1ccc2c(c1)CCO2
InChIKey: WEBVDBDZSOJGPB-UHFFFAOYSA-N
Summenformel: C9H8O2
Durchschnittliche Molmasse: 148,16 g/mol
Monoisotopische Masse: 148,05242949

Namen und Bezeichner

Bevorzugter Name: 2,3-Dihydrobenzofuran-5-carboxaldehyde
IUPAC: 2,3-dihydro-1-benzofuran-5-carbaldehyde
Lokaler Name: 2,3-Dihydrobenzofuran-5-carboxaldehyd
Englischer Name: 2,3-Dihydrobenzo[b]furan-5-carbaldehyde
Summenformel: C9H8O2
Molmasse: 148.16

Namen und Synonyme

55745-70-52,3-Dihydrobenzofuran-5-carboxaldehydeEINECS 259-788-1DTXSID60204300RefChem:81723DTXCID20126791259-788-12,3-dihydrobenzo[b]furan-5-carbaldehyde2,3-dihydro-1-benzofuran-5-carbaldehyde2,3-dihydrobenzofuran-5-carbaldehyde2,3-Dihydrobenzo[b]furan-5-carboxaldehydeRamelteon Impurity G

Weitere Namen anzeigen

2,3-Dihydro-1-benzofuran-5-carboxaldehydeAKOS MSC-07725-ForMylcouMaranBUTTPARK 27\04-60TIMTEC-BB SBB005559Ramelteon Impurity 31CouMarancarboxaldehyde1-(benzofuran-5-yl)ethanone

MFCD000680582,3-Dihydro-benzofuran-5-carbaldehyde5-Coumarancarboxaldehyde2,3-Dihydro-5-formylbenzofuranCS-M26672,3-Dihydro-benzofuran-5carbaldehydeEN300-434072,3-dihyro-1-benzofuran-5-carbaldehyde

Datenbank-Bezeichner

CAS: 55745-70-5
PubChem CID: 735901
DTXSID: DTXSID60204300
ChEMBL: CHEMBL1650257
EC Number: 259-788-1
Nikkaji: J296.486D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 156

Physikochemische Eigenschaften

Schmelzpunkt: 191 · 191~193℃
Siedepunkt: 88 · 88-89 °C/0.1 mmHg (lit.)
Dichte: 1.177 g/mL · 1.177 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.6000(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C(protect from light)
Aggregatzustand: clear liquid
Farbe: Colorless to Light orange to Yellow
InChI: 1S/C9H8O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5-6H,3-4H2
InChIKey: WEBVDBDZSOJGPB-UHFFFAOYSA-N
SMILES: O=Cc1ccc2OCCc2c1
CAS Datenbank: 55745 · 55745-70-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H334 (93%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P233, P260, P271, P284, P304+P340, P342+P316, P403, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory.；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.