5-methoxy-1-methyl-1H-indole-3-carbaldehyde

HCID 925973CAS 39974-94-2

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Grundinformationen

Standard-SMILES: COc1ccc2c(c1)c(C=O)cn2C
InChIKey: OFNAEHQJIMREFJ-UHFFFAOYSA-N
Summenformel: C11H11NO2
Durchschnittliche Molmasse: 189,21 g/mol
Monoisotopische Masse: 189,07897859

Namen und Bezeichner

Bevorzugter Name: 5-methoxy-1-methyl-1H-indole-3-carbaldehyde
IUPAC: 5-methoxy-1-methylindole-3-carbaldehyde
Englischer Name: 5-METHOXY-1-METHYLINDOLE-3-CARBOXALDEHYDE
Summenformel: C11H11NO2
Molmasse: 189.21

Namen und Synonyme

5-methoxy-1-methyl-1H-indole-3-carbaldehyde39974-94-2DTXSID40358951RefChem:303669DTXCID10310006670-298-05-methoxy-1-methylindole-3-carbaldehyde5-Methoxy-1-Methylindole-3-CarboxaldehydeMFCD015783245-methoxy-1-methyl-1H-Indole-3-carboxaldehyde3-Formyl-5-methoxy-1-methylindole1H-Indole-3-carboxaldehyde, 5-methoxy-1-methyl-

Weitere Namen anzeigen

3-Formyl-5-methoxy-1-methyl-1H-indole5-METHOXY-1-METHYL-1H-INDOLE-3-CARBALDEHYD

SCHEMBL1093582CHEMBL1650261AKOS JY2082772OFNAEHQJIMREFJ-UHFFFAOYSA-NALBB-0068655-methoxy-1-methylindole-3-aldehydeSBB002929STK012175

Datenbank-Bezeichner

CAS: 39974-94-2
PubChem CID: 925973
DTXSID: DTXSID40358951
ChEMBL: CHEMBL1650261
EC Number: 670-298-0
Nikkaji: J2.217.203D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 31,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 219

Physikochemische Eigenschaften

Schmelzpunkt: 133 · 133-136°C
Siedepunkt: 357.9 · 357.9±22.0 °C(Predicted)
Dichte: 1.14 · 1.14±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: solid
Farbe: Brown
Wasserlöslichkeit: It is insoluble in water.
BRN: 1528827 · 1528827
CAS Datenbank: 39974 · 39974-94-2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 2933998090
risk_code: 36/37/38-22
hazard_code: Xn
safety_code: 26-36
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

Verwenden5-Methoxy-1-methylindole-3-carboxaldehyde is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.