1H-Indole, 6-methyl-

HCID 137928CAS 3420-02-8

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Grundinformationen

Standard-SMILES: Cc1ccc2cc[nH]c2c1
InChIKey: ONYNOPPOVKYGRS-UHFFFAOYSA-N
Summenformel: C9H9N
Durchschnittliche Molmasse: 131,17 g/mol
Monoisotopische Masse: 131,07349929

Überblick

6-Methyl indole is a member of indoles.

Namen und Bezeichner

Bevorzugter Name: 1H-Indole, 6-methyl-
IUPAC: 6-methyl-1H-indole
Englischer Name: 6-Methylindole
Summenformel: C9H9N
Molmasse: 131.17

Namen und Synonyme

6-Methyl-1H-indole3420-02-81H-Indole, 6-methyl-6-Methyl-H-indoleQTM6OJZ56SDTXSID00187789RefChem:438697DTXCID10110280625-234-6InChI=1/C9H9N/c1-7-2-3-8-4-5-10-9(8)6-7/h2-6,10H,1H6-Methylindole6-Methyl indole

Weitere Namen anzeigen

CP085029-16-Methyindole6-MetlylindoleAKOS JY20828116-Methylindole>6-Methylindole,99%6-METHYLINDOLE 99%

MFCD00005682Indole, 6-methyl-6-Methylindole, 97%6-Methyl-1H-indole #AKOS004116725CS-W007349HY-W007349EN300-39430

Datenbank-Bezeichner

CAS: 3420-02-8
PubChem CID: 137928
DTXSID: DTXSID00187789
ChEBI: CHEBI:229031
UNII: QTM6OJZ56S
EC Number: 625-234-6
Nikkaji: J45.592J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 15,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 122

Physikochemische Eigenschaften

Schmelzpunkt: 29 · 29-32°C
Siedepunkt: 112 °C/5 · 112 °C/5 mmHg (lit.)
Dichte: 1.059 g/mL · 1.059 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.607(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
pka: 17.36 · 17.36±0.30(Predicted)
Aggregatzustand: Liquid After Melting
Wichte: 1.059 · 1.059
Farbe: Clear yellow to light brown
Wasserlöslichkeit: Insoluble in water.
BRN: 109708 · 109708
InChI: 1S/C9H9N/c1-7-2-3-8-4-5-10-9(8)6-7/h2-6,10H,1H3
InChIKey: ONYNOPPOVKYGRS-UHFFFAOYSA-N
SMILES: Cc1ccc2cc[nH]c2c1
LogP: 2.6 · 2.600 (est)
CAS Datenbank: 3420 · 3420-02-8(CAS DataBase Reference)
NIST chemische Informationen: 1 H-Indole, · 1H-Indole, 6-methyl-(3420-02-8)

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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3334
hs_code: 29339900
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Light Sensitive/Irritant/Keep Cold
safety_code: 26-36
hazard_class: IRRITANT, LIGHT SENSITIVE
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden6-Methylindole was used in the synthesis of benz[c,d]indol-3(1H)-one derivatives. Reactant for preparation of tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulatorsReactant for preparation of indole linked triazole derivatives as antifungal agentsReactant for preparation of N-β-D-xylosyl-indole derivatives as SGLT2 inhibitors for management of hyperglycemia in diabetesReactant for preparation of aminoguanidine derivatives of arylsulfonylacylindoles as antifungal agentsReactant for preparation of indolylindazoles and indolylpyrazolopyridines as interleukin-2 inducible T cell kinase inhibitorsReactant for preparation of arylsulfonylacetylindoles as anti-HIV-1 agents