1-Methyl-1,10-phenanthrolin-2(1H)-one

HCID 3581387CAS 31535-89-4

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Grundinformationen

Standard-SMILES: Cn1c(=O)ccc2ccc3cccnc3c21
InChIKey: IXAWJXFNSQYESB-UHFFFAOYSA-N
Summenformel: C13H10N2O
Durchschnittliche Molmasse: 210,23 g/mol
Monoisotopische Masse: 210,07931295

Namen und Bezeichner

Bevorzugter Name: 1-Methyl-1,10-phenanthrolin-2(1H)-one
IUPAC: 1-methyl-1,10-phenanthrolin-2-one
Englischer Name: 1,10-Phenanthrolin-2(1H)-one, 1-methyl-
Summenformel: C13H10N2O
Molmasse: 210.23

Namen und Synonyme

1-METHYL-1,10-PHENANTHROLIN-2(1H)-ONE31535-89-41,10-Phenanthrolin-2(1H)-one, 1-methyl-DTXSID20393860RefChem:76187DTXCID10344720651-831-6IXAWJXFNSQYESB-UHFFFAOYSA-N1-methyl-1,10-phenanthrolin-2-oneN-methylphenanthrolone1-methyl-1,2-dihydro-1,10-phenanthrolin-2-oneSCHEMBL809908

Weitere Namen anzeigen

AKOS0243222311-Methyl-1,10-phenanthroline-2(1H)-one

Datenbank-Bezeichner

CAS: 31535-89-4
PubChem CID: 3581387
DTXSID: DTXSID20393860
EC Number: 651-831-6
Nikkaji: J390.542J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 33,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 16
Formalladung: 0
Komplexität: 326

Physikochemische Eigenschaften

Schmelzpunkt: 116 · 116-118 °C
Siedepunkt: 368.7 · 368.7±31.0 °C(Predicted)
Dichte: 1.278 · 1.278±0.06 g/cm3(Predicted)
pka: 2.83 · 2.83±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.