6-Methylindole-3-carboxaldehyde

HCID 4777902CAS 4771-49-7

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Grundinformationen

Standard-SMILES: Cc1ccc2c(C=O)c[nH]c2c1
InChIKey: LZERQSJGPXFAKB-UHFFFAOYSA-N
Summenformel: C10H9NO
Durchschnittliche Molmasse: 159,18 g/mol
Monoisotopische Masse: 159,06841391

Namen und Bezeichner

Bevorzugter Name: 6-Methylindole-3-carboxaldehyde
IUPAC: 6-methyl-1H-indole-3-carbaldehyde
Englischer Name: 6-METHYLINDOLE-3-CARBOXALDEHYDE
Summenformel: C10H9NO
Molmasse: 159.18

Namen und Synonyme

4771-49-76-Methylindole-3-carboxaldehydeDTXSID60406468RefChem:309092DTXCID603573206-Methylindole-3-carboxyaldehyde6-methyl-1H-indole-3-carbaldehyde6-methylindole-3-carbaldehyde1H-Indole-3-carboxaldehyde, 6-methyl-MFCD00049347SCHEMBL1049957AKOS004119710

Weitere Namen anzeigen

AKOS JY20835886-Methylindole-3-caboxaldehyde6-Methyl-1H-indol-3-carbaldehyde6-Methylindole-3-carboxaldehyde,98%

NCGC00325999-016-Methylindole-3-aldehyde6-Methylin6-methyl-1H-indole-3-carboxaldehyde3-Formyl-6-methylindoleA827311SCHEMBL13453375SCHEMBL29935657

Datenbank-Bezeichner

CAS: 4771-49-7
PubChem CID: 4777902
DTXSID: DTXSID60406468
EC Number: 676-494-2
Nikkaji: J3.657.032F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 32,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 181

Physikochemische Eigenschaften

Schmelzpunkt: 185 · 185-189°C
Siedepunkt: 339.3 · 339.3±22.0 °C(Predicted)
Dichte: 1.226 · 1.226±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 15.86 · 15.86±0.30(Predicted)
BRN: 386914 · 386914
CAS Datenbank: 4771 · 4771-49-7(CAS DataBase Reference)

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Sicherheitsdaten

hs_code: 2933998090
risk_code: 36/37/38-36-22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden6-Methylindole-3-carboxaldehyde is an indole compound that can be prepared by the C3-formylation of indole with formaldehyde and ammonia catalysed by iron in air. The substance can also be used to prepare other nitrogen-containing heterocyclic compounds, which are widely used in chemical manufacturing, medicine, dyes and luminescent materials.