Grundinformationen
- CAS
4733-39-5- Standard-SMILES
Cc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(C)nc3c2n1- InChIKey
STTGYIUESPWXOW-UHFFFAOYSA-N- Summenformel
- C26H20N2
- Durchschnittliche Molmasse
- 360,4 g/mol
- Monoisotopische Masse
- 360,16264865
Überblick
reagent for copper; RN given refers to parent cpd
Namen und Bezeichner
- Bevorzugter Name
- Bathocuproine
- IUPAC
- 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline
- Lokaler Name
- 2,9-Dimethyl-4,7-diphenyl-1,10-phenanthrolin
- Englischer Name
- Bathocuproine
- Summenformel
- C26H20N2
- Molmasse
- 360.45
Namen und Synonyme
Bathocuproine4733-39-52,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline1,10-Phenanthroline, 2,9-dimethyl-4,7-diphenyl-9THP2V94FXDTXSID4063585NSC-89195RefChem:561106DTXCID9040556225-240-5BathocuproinMFCD00004972
Weitere Namen anzeigen
RMA-422BCP 157BLANC FIXE XRBathocuproineGrBathocuproin BCPEINECS 225-240-5BATHOCUPROINE AR
4,7-Diphenyl-2,9-dimethyl-1,10-phenanthrolineOprea1_173365STTGYIUESPWXOW-UHFFFAOYSA-2,7-diphenyl-1,10-phenanthroline1, 2,9-dimethyl-4,7-diphenyl-2,9-dimethyl-4,7-diphenylpyridino[3,2-h]quinoline2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline;Bathocuproin;2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline;2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline [BCP]NSC89195
Datenbank-Bezeichner
- CAS
4733-39-5- PubChem CID
- 65149
- DTXSID
DTXSID4063585
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,5
- Polarare Oberfläche (TPSA)
- 25,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 461
Experimentelle und physikochemische Eigenschaften
PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
Physical DescriptionYellow powder; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 279 · 279-283 °C(lit.)
- Siedepunkt
- 482.47 °C · 482.47°C (rough estimate)
- Dichte
- 1.2408 · 1.2408 (rough estimate)
- Brechungsindex
- 1.762 · 1.7620 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Benzene (Slightly, Heated), DMSO (Slightly, Heated), Methanol (Slightly, Heated)
- Aggregatzustand
- Powder
- pka
- 5.88 · 5.88±0.30(Predicted)
- Farbe
- Yellow
- Wasserlöslichkeit
- Soluble in methanol (36mg/100ml), ethanol, 2-propanol, bezene, and acetone. Partly miscible in water.
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information1,10-Phenanthroline, 2,9-dimethyl-4,7-diphenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29339990
- risk_code
- 22-36/37/38-20/21/22
- hazard_code
- Xn
- safety_code
- 24/25-36-26-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 4
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
Substances that eliminate free radicals. Among other effects, they protect PANCREATIC ISLETS against damage by CYTOKINES and prevent myocardial and pulmonary REPERFUSION INJURY.
Verwendung und Herstellung
UsesUsed as a reagent for copper; [ChemIDplus]
General Manufacturing Information1,10-Phenanthroline, 2,9-dimethyl-4,7-diphenyl-: ACTIVE
Anwendungen
BeschreibungOrganic photovoltaic cells (OPVCs) are considered to be promising devices because of their mechanical flexibility, ease of fabrication and potential for low-cost production. For small-molecule OPVCs the most-common material to use between the acceptor, here C60, and the top electrode, Al, is 2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline, also known as bathocuproine. Indeed, the insertion of BCP results in an enhanced power-conversion efficiency (PCE). The improved power-conversion efficiency has been attributed to an increased exciton harvesting in the active layer. As BCP is a wide-band-gap material it acts as an exciton-blocking barrier (EBL) that prohibits excitons diffusing towards the Al electrode where they would otherwise be quenched.
VerwendenBathocuproine can be used as an electron-modifying layer or as an interlayer between ETLs (electron transport layers) in calcite solar cells, and it can be prepared by spin-coating deposition or vacuum thermal evaporation. The addition of Bathocuproine enhances the energy conversion efficiency of organic photovoltaic cells.
Zugehörige Reaktionen
53
Notizen zur Verbindung
Wird geladen…