1,10-Phenanthroline-5,6-dione

HCID 72810CAS 27318-90-7

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Grundinformationen

Standard-SMILES: O=C1C(=O)c2cccnc2-c2ncccc21
InChIKey: KCALAFIVPCAXJI-UHFFFAOYSA-N
Summenformel: C12H6N2O2
Durchschnittliche Molmasse: 210,19 g/mol
Monoisotopische Masse: 210,04292743

Überblick

1,10-Phenanthroline-5,6-dione is a member of phenanthrolines.

Namen und Bezeichner

Bevorzugter Name: 1,10-Phenanthroline-5,6-dione
IUPAC: 1,10-phenanthroline-5,6-dione
Englischer Name: 1 10-PHENANTHROLINE-5 6-DIONE 97
Summenformel: C12H6N2O2
Molmasse: 210.19

Namen und Synonyme

1,10-Phenanthroline-5,6-dione27318-90-7phendioneLDN-737948JD7KXA2W01,10-PadNSC-346882DTXSID60181763phen-dioneRefChem:410366DTXCID00104254627-684-9

Weitere Namen anzeigen

11,10-Phenanthroline-5,6-dione, 98%phen-5,6-dionePhenanthroline-5,6-dipyridobenzoquinoneStahl phd oxidant phd1,10-Phenthroline-5,6-dione1,10-Phenanthrolin-5,6-dione

MFCD00014473Stahl phd oxidant5,6-dihydro-1,10-phenanthroline-5,6-dioneMLS0031710481,10-phenanthroline-5,6-quinone1 10-PHENANTHROLINE-5 6-DIONE 97NSC346882NSC 346882

Datenbank-Bezeichner

CAS: 27318-90-7
PubChem CID: 72810
DTXSID: DTXSID60181763
ChEMBL: CHEMBL235504
ChEBI: CHEBI:231244
UNII: 8JD7KXA2W0
EC Number: 627-684-9
Nikkaji: J699.413J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 59,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 16
Formalladung: 0
Komplexität: 297

Physikochemische Eigenschaften

Schmelzpunkt: 260 °C · 260 °C (dec.)(lit.)
Siedepunkt: 456.1 · 456.1±20.0 °C(Predicted)
Dichte: 1.444 · 1.444±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 0.26 · 0.26±0.20(Predicted)
Farbe: Light yellow to Amber to Dark green
Wasserlöslichkeit: Insoluble in water.
InChI: InChI=1S/C12H6N2O2/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10/h1-6H
InChIKey: KCALAFIVPCAXJI-UHFFFAOYSA-N
SMILES: N1C2=C(C(=O)C(=O)C3=C2N=CC=C3)C=CC=1

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 86 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.