5-Methyl-1,10-phenanthrolin

5-Methyl-1,10-phenanthroline

HCID 72791CAS 3002-78-6

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Grundinformationen

Standard-SMILES: Cc1cc2cccnc2c2ncccc12
InChIKey: UJAQYOZROIFQHO-UHFFFAOYSA-N
Summenformel: C13H10N2
Durchschnittliche Molmasse: 194,23 g/mol
Monoisotopische Masse: 194,08439832

Überblick

RN given refers to parent cpd

Namen und Bezeichner

Bevorzugter Name: 5-Methyl-1,10-phenanthroline
IUPAC: 5-methyl-1,10-phenanthroline
Lokaler Name: 5-Methyl-1,10-phenanthrolin
Englischer Name: 5-Methyl-1,10-phenanthroline
Summenformel: C13H10N2
Molmasse: 194.23

Namen und Synonyme

5-Methyl-1,10-phenanthroline3002-78-61,10-Phenanthroline, 5-methyl-DTXSID4062771RefChem:536779DTXCID0038120221-099-95-MethylphenanthrolineMFCD00004982CHEMBL98682NSC4272SCHEMBL371564

Weitere Namen anzeigen

RMA-4265-methyl-10-phenanthroline5-Methyl-1,1-phenanthroline5-Methyl-1,10-phenanthroline 98%5-Methyl-1,10-phenanthrolin-2-ol5-METHYL-1,10-PHENANTHROLINE, 99+%5-Methyl-1,10-phenanthroline Hydrate

UJAQYOZROIFQHO-UHFFFAOYSA-5-methylpyridino[3,2-h]quinolineSMSSF-0625532NSC-4272BDBM50401345AKOS015899630AMS_CNC_ID-110962535CS-W004552

Datenbank-Bezeichner

CAS: 3002-78-6
PubChem CID: 72791
DTXSID: DTXSID4062771
ChEMBL: CHEMBL98682
EC Number: 221-099-9
Nikkaji: J150.535A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 15
Formalladung: 0
Komplexität: 229

Experimentelle und physikochemische Eigenschaften

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons

Physical DescriptionOff-white or pale yellow powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 113 · 113-114 °C (lit.)
Siedepunkt: 320.68 °C · 320.68°C (rough estimate)
Dichte: 1.1579 · 1.1579 (rough estimate)
Brechungsindex: 1.5014 · 1.5014 (estimate)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: 50 mg/mL, · methanol: soluble50mg/mL, clear to slightly hazy, colorless to yellow
Aggregatzustand: powder to crystal
pka: 4.89 · 4.89±0.10(Predicted)
Farbe: White to Light yellow to Light orange
BRN: 143849 · 143849
InChI: 1S/C13H10N2/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13/h2-8H,1H3
InChIKey: UJAQYOZROIFQHO-UHFFFAOYSA-N
SMILES: Cc1cc2cccnc2c3ncccc13
CAS Datenbank: 3002 · 3002-78-6(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1,10-Phenanthroline, 5-methyl- (3002-78-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

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

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

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.