5-Methylindoline

HCID 14023679CAS 65826-95-1

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Grundinformationen

Standard-SMILES: Cc1ccc2c(c1)CCN2
InChIKey: JFUAVVHABJWSFX-UHFFFAOYSA-N
Summenformel: C9H11N
Durchschnittliche Molmasse: 133,19 g/mol
Monoisotopische Masse: 133,08914935

Namen und Bezeichner

Bevorzugter Name: 5-Methylindoline
IUPAC: 5-methyl-2,3-dihydro-1H-indole
Englischer Name: 5-Methylindoline
Summenformel: C9H11N
Molmasse: 133.19

Namen und Synonyme

5-MethylindolineRefChem:537287672-683-965826-95-15-methyl-2,3-dihydro-1H-indole1H-Indole, 2,3-dihydro-5-methyl-MFCD030936362,3-Dihydro-5-methyl-1H-indole5-Methylindoline, AldrichCPRDTXSID30554460CS-W013389SB38166

Weitere Namen anzeigen

5-Methylindoline>2,3-Dihydro-5-methyl-1H-indole6-ethynyl-2,3-dihydro-1H-indole5-Methyl-2,3-dihydro-1H-indole≥ 98% (HPLC)5-Methylindoline 5-methyl-2,3-dihydro-1H-indole in stock Factory

SY052833M1372Z2355390625-methyl-indoline1H-Indole, 2,3-diFT-0649071SCHEMBL12461SCHEMBL650280

Datenbank-Bezeichner

CAS: 65826-95-1
PubChem CID: 14023679
DTXSID: DTXSID30554460
EC Number: 672-683-9
Nikkaji: J1.677.519C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 122

Physikochemische Eigenschaften

Siedepunkt: 241 ℃ · 241℃
Dichte: 1 · 1,03 g/cm3
Brechungsindex: 1.575 · 1.5750-1.5790
Flammpunkt: 104 ℃ · 104℃
storage temp.: 2 · 2-8°C(protect from light)
Aggregatzustand: clear liquid
pka: 5.85 · 5.85±0.20(Predicted)
Farbe: Colorless to Yellow to Green
InChI: 1S/C9H11N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-3,6,10H,4-5H2,1H3
InChIKey: JFUAVVHABJWSFX-UHFFFAOYSA-N
SMILES: Cc1ccc2NCCc2c1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (97.5%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2933998090
risk_code: 36/37/38-51/53-25
hazard_code: T,N
safety_code: 26-36/37/39-61-45
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 2