HRID 1325760als KatalysatorHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions
Diethyl [2,2'-Bipyridine]-5,5'-dicarboxylate
Grundinformationen
- CAS
1762-46-5- Standard-SMILES
CCOC(=O)c1ccc(-c2ccc(C(=O)OCC)cn2)nc1- InChIKey
IUNBUYCOAQHBMC-UHFFFAOYSA-N- Summenformel
- C16H16N2O4
- Durchschnittliche Molmasse
- 300,31 g/mol
- Monoisotopische Masse
- 300,111007
Namen und Bezeichner
- Bevorzugter Name
- Diethyl [2,2'-Bipyridine]-5,5'-dicarboxylate
- IUPAC
- ethyl 6-(5-ethoxycarbonyl-2-pyridinyl)pyridine-3-carboxylate
- Englischer Name
- diethyl 2,2'-bipyridine-5,5'-dicarboxylate
- Summenformel
- C16H16N2O4
- Molmasse
- 300.31
Namen und Synonyme
Diethyl [2,2'-bipyridine]-5,5'-dicarboxylate5,5'-DIETHYL [2,2'-BIPYRIDINE]-5,5'-DICARBOXYLATEDiethyl (2,2'-Bipyridine)-5,5'-dicarboxylate5,5'-Diethyl (2,2'-bipyridine)-5,5'-dicarboxylateRefChem:586995835-744-21762-46-5Diethyl bipy55'DCDiethyl 2,2'-bipyridine-5,5'-dicarboxylateMFCD11110569ethyl 6-(5-ethoxycarbonylpyridin-2-yl)pyridine-3-carboxylateC16H16N2O4
Weitere Namen anzeigen
5,5'-Dicarbethoxy-2,2'-bipyridine5,5'-diethoxycarbonyl-2,2'-bipyridine5,5'-Bis(ethoxycarbonyl)-2,2'-bipyridineEthyl 2,2'- bipyridine -5,5'- dicarboxylate2,2']bipyridinyl-5,5'-dicarboxylic acid diethyl ester[2,2']bipyridinyl-5,5'-dicarboxylic acid diethyl ester[2,2′-Bipyridine]-5,5′-dicarboxylic acid, diethyl ester
[2,2'-Bipyridine]-5,5'-dicarboxylic acid, 5,5'-diethyl esterDTXSID40481354Diethyl bipyridine-5,5'-dicarboxylateDS-7538diethyl-2,2'-bipyridine-5,5'-dicarboxylateAGN-PC-0NI5SBSCHEMBL811649orb1705976
Datenbank-Bezeichner
- CAS
1762-46-5- PubChem CID
- 12227215
- DTXSID
DTXSID40481354- EC Number
- 835-744-2
- Nikkaji
- J854.731I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 78,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 352
Physikochemische Eigenschaften
- Schmelzpunkt
- 145 · 145-147 °C
- Siedepunkt
- 428.9 · 428.9±45.0 °C(Predicted)
- Dichte
- 1.201 · 1.201±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- powder to crystal
- pka
- 1.99 · 1.99±0.32(Predicted)
- Farbe
- White to Almost white
- InChI
- InChI=1S/C16H16N2O4/c1-3-21-15(19)11-5-7-13(17-9-11)14-8-6-12(10-18-14)16(20)22-4-2/h5-10H,3-4H2,1-2H3
- InChIKey
- IUNBUYCOAQHBMC-UHFFFAOYSA-N
- SMILES
- C1(C2=NC=C(C(OCC)=O)C=C2)=NC=C(C(OCC)=O)C=C1
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- hs_code
- 2933.39.9200
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