1,2-Dimethyl-1H-indol

1,2-Dimethylindole

HCID 13408CAS 875-79-6

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Grundinformationen

Standard-SMILES: Cc1cc2ccccc2n1C
InChIKey: BJMUOUXGBFNLSN-UHFFFAOYSA-N
Summenformel: C10H11N
Durchschnittliche Molmasse: 145,2 g/mol
Monoisotopische Masse: 145,08914935

Namen und Bezeichner

Bevorzugter Name: 1,2-Dimethylindole
IUPAC: 1,2-dimethylindole
Lokaler Name: 1,2-Dimethyl-1H-indol
Englischer Name: 1,2-Dimethylindole
Summenformel: C10H11N
Molmasse: 145.2

Namen und Synonyme

1,2-DIMETHYLINDOLE875-79-61,2-Dimethyl-1H-indoleN-Methyl-2-methylindoleIndole, 1,2-dimethyl-1H-Indole, 1,2-dimethyl-H373TS720OEINECS 212-877-9NSC-62087DTXSID00236367NSC 620871,2dimethylindole

Weitere Namen anzeigen

Dimethylindole1,2-Dimethylindole >1,2-Dimethylindole 99%

NMethyl2methylindoleIndole, 1,2dimethyl1HIndole, 1,2dimethylRefChem:411787Indole, 1,2dimethyl (8CI)Indole, 1,2-dimethyl-(8CI)1HIndole, 1,2dimethyl (9CI)DTXCID00158858

Datenbank-Bezeichner

CAS: 875-79-6
PubChem CID: 13408
DTXSID: DTXSID00236367
ChEMBL: CHEMBL3252124
UNII: H373TS720O
EC Number: 212-877-9
Nikkaji: J26.025H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 4,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 144

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Indoles

Vapor Pressure0.01 [mmHg]

Physical DescriptionLight yellow crystalline powder; [TCI America MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 55 · 55-58 °C (lit.)
Siedepunkt: 143 °C · 143 °C / 30mmHg
Dichte: 0.99 · 0.99±0.1 g/cm3(Predicted)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Liquid
Farbe: White to Light yellow to Light orange
Stabilität: Stable, but light sensitive. Incompatible with strong oxidizing agents.
InChI: InChI=1S/C10H11N/c1-8-7-9-5-3-4-6-10(9)11(8)2/h3-7H,1-2H3
InChIKey: BJMUOUXGBFNLSN-UHFFFAOYSA-N
SMILES: N1(C)C2=C(C=CC=C2)C=C1C
CAS Datenbank: 875 · 875-79-6(CAS DataBase Reference)
NIST chemische Informationen: 1 H-indole, · 1H-indole, 1,2-dimethyl-(875-79-6)

Sicherheit und Regulatorisches

Gefahrenhinweise

Hazards SummaryMay cause irritation; [TCI America MSDS] See 3-Methylindole.

Sicherheitsdaten

wgk: 3
hs_code: 29339900
safety_code: 24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenBuilding block for preparation of 3-functionalized indoles Building block for preparation carbazoles Building block for preparation of cyanoindoles Reactant for preparation of trifluoromethylindoles Reactant for preparation of potent antihyperlipidemic agents Building block in iso-Nazarov or Nazarov cyclizations Reactant for preparation of GSK-3 inhibitors Building block for preparation of carboxyindoles Reactant for preparation of plant growth promoters Reactant for preparation of tryptophan derivatives.