3,4,7,8-Tetramethyl-1,10-phenanthrolin

3,4,7,8-Tetramethyl-1,10-phenanthroline

HCID 74265CAS 1660-93-1

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Grundinformationen

Standard-SMILES: Cc1cnc2c(ccc3c(C)c(C)cnc32)c1C
InChIKey: NPAXPTHCUCUHPT-UHFFFAOYSA-N
Summenformel: C16H16N2
Durchschnittliche Molmasse: 236,31 g/mol
Monoisotopische Masse: 236,13134851

Namen und Bezeichner

Bevorzugter Name: 3,4,7,8-Tetramethyl-1,10-phenanthroline
IUPAC: 3,4,7,8-tetramethyl-1,10-phenanthroline
Lokaler Name: 3,4,7,8-Tetramethyl-1,10-phenanthrolin
Englischer Name: 3,4,7,8-Tetramethyl-1,10-phenanthroline
Summenformel: C16H16N2
Molmasse: 236.31

Namen und Synonyme

3,4,7,8-Tetramethyl-1,10-phenanthroline1660-93-11,10-Phenanthroline, 3,4,7,8-tetramethyl-DTXSID2061856TM-1,10-PRefChem:90964DTXCID4035330216-762-4MFCD000049743,4,7,8-Tetramethylphenanthroline3,4,7,8-Me4PhenanCHEMBL99384

Weitere Namen anzeigen

3,4,7,8-tmphenTIMTEC-BB SBB0089453,4,7,8-TetramethyL3,4,7,8-tetramethyl-1,10-filoline3,4,7,8-tetramethyl-10-phenanthroline3, 47.8-tetramethyl-1, 10-philoxoline3,4,7,8-Tetramethyl-1,1-phenanthroline3,4,7,8-TetraMethyl -1,10-phenathroline3,4,7,8-Tetramethyl-1,10-phenaanthroline

AC1714AS-15524SY0046723,4,7,8-tetramethyl-1,10-phenanthrolin3,4,7,8-tetramethyl-1,10-phenantroline3,4,7,8-Tetramethyl-1,10-diazaphenanthrene; 3,4,7,8-Tetramethyl-o-phenanthroline; 3,4,7,8-TetramethylphenanthrolineZ27681720303,4,7,8-tetramethylpyridino[3,2-h]quinoline

Datenbank-Bezeichner

CAS: 1660-93-1
PubChem CID: 74265
DTXSID: DTXSID2061856
ChEMBL: CHEMBL99384
EC Number: 216-762-4
Nikkaji: J151.257I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,9
Polarare Oberfläche (TPSA): 25,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 18
Formalladung: 0
Komplexität: 273

Experimentelle und physikochemische Eigenschaften

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons

Physical DescriptionWhite powder; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 277 · 277-280 °C(lit.)
Siedepunkt: 368.78 °C · 368.78°C (rough estimate)
Dichte: 1.0937 · 1.0937 (rough estimate)
Brechungsindex: 1.5635 · 1.5635 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: 1 · Soluble in 1,4-dioxane, acetone, dichloromethane, N,N-dimethylformamide, N,N-dimethylacetamide, methanol and hot toluene.
pka: 6.37 · 6.37±0.10(Predicted)
Aggregatzustand: Fine Crystalline Powder
Farbe: Light beige
Wasserlöslichkeit: 1.512 mg/L · 1.512mg/L(25.04 ºC)
BRN: 171279 · 171279
InChI: InChI=1S/C16H16N2/c1-9-7-17-15-13(11(9)3)5-6-14-12(4)10(2)8-18-16(14)15/h5-8H,1-4H3
InChIKey: NPAXPTHCUCUHPT-UHFFFAOYSA-N
SMILES: N1C2C(=CC=C3C=2N=CC(C)=C3C)C(C)=C(C)C=1
CAS Datenbank: 1660 · 1660-93-1(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1,10-Phenanthroline, 3,4,7,8-tetramethyl- (1660-93-1)

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, P317, 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.