CAS 183208-36-8 5-methoxy-1H-pyrrolo[2,3-b]pyridine (HCID 10307871)

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Grundinformationen

CAS: 183208-36-8
Standard-SMILES: COc1cnc2[nH]ccc2c1
InChIKey: AFUFCCUQHGSNAN-UHFFFAOYSA-N
Summenformel: C8H8N2O
Durchschnittliche Molmasse: 148,16 g/mol
Monoisotopische Masse: 148,06366288

Namen und Bezeichner

Bevorzugter Name: 5-methoxy-1H-pyrrolo[2,3-b]pyridine
IUPAC: 5-methoxy-1H-pyrrolo[2,3-b]pyridine
Englischer Name: 5-METHOXY-1H-PYRROLO[2,3-B]PYRIDINE
Summenformel: C8H8N2O
Molmasse: 148.16

Namen und Synonyme

5-methoxy-1H-pyrrolo[2,3-b]pyridine5-methoxy-1H-pyrrolo(2,3-b)pyridineRefChem:536600964-647-95-Methoxy-7-azaindole183208-36-81H-PYRROLO[2,3-B]PYRIDINE, 5-METHOXY-MFCD06659675SCHEMBL296198CS-B0501GEO-037885-Methoxy-1H-pyrrolo[2,3-b]pyridin

Weitere Namen anzeigen

5-Methoxyl-7-azaindole5-Methoxyl-8-azaindole5-methoxy-1H-pyrrolopyridine5-METHOXY-1H-PYRROLO[2,3-B]PYR5-Metho×y-1H-pyrrolo[2,3-b]pyridine5-methoxy-1H-pyrrolo[2,3-b]x pyridine

PB32442AS-18176SY0212985-Methoxy-1H-pyrrolo[2,3-b]pyridine, AldrichCPRBCP09442A4052FT-0648000A812755

Datenbank-Bezeichner

CAS: 183208-36-8
PubChem CID: 10307871
DTXSID: DTXSID60437878
EC Number: 964-647-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 37,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 140

Physikochemische Eigenschaften

Siedepunkt: 412.1 · 412.1±45.0 °C(Predicted)
Dichte: 1.24 · 1.24
storage temp.: Sealed in dry,Room Temperature
pka: 7.24 · 7.24±0.20(Predicted)
InChI: InChI=1S/C8H8N2O/c1-11-7-4-6-2-3-9-8(6)10-5-7/h2-5H,1H3,(H,9,10)
InChIKey: AFUFCCUQHGSNAN-UHFFFAOYSA-N
SMILES: C12NC=CC1=CC(OC)=CN=2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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. 4 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29339900
risk_code: 22
hazard_code: Xi,Xn
safety_code: 24/25
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden5-Methoxy-7-azaindole can be used as a pharmaceutical intermediate, mainly used in laboratory research and development processes and chemical production processes, especially in the synthesis of drug molecules with specific biological activities.