Pyridin-2,6-dicarbaldehyd

2,6-Diformylpyridine

HCID 79485CAS 5431-44-7

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Grundinformationen

Standard-SMILES: O=Cc1cccc(C=O)n1
InChIKey: PMWXGSWIOOVHEQ-UHFFFAOYSA-N
Summenformel: C7H5NO2
Durchschnittliche Molmasse: 135,12 g/mol
Monoisotopische Masse: 135,0320284

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 2,6-Diformylpyridine
IUPAC: pyridine-2,6-dicarbaldehyde
Lokaler Name: Pyridin-2,6-dicarbaldehyd
Englischer Name: 2,6-Pyridinedicarboxaldehyde
Summenformel: C7H5NO2
Molmasse: 135.12

Namen und Synonyme

2,6-diformylpyridineDTXSID80202681RefChem:870721DTXCID101251722,6-Pyridinedicarboxaldehyde5431-44-7Pyridine-2,6-dicarbaldehydeMFCD000101032,6-Pyridine dialdehydeEINECS 226-589-62,6-pyridine dicarboxaldehyde2,6-Pyridinedicarbaldehyde #

Weitere Namen anzeigen

Pyridine-2,6-dicarboxaldehyde2,6-Pyridinedicarbox2,6-Pyridinedicarbaldehyde2,6-PYRIDINEDICARBOXADEHYDEPyridine-2,6-biscarbaldehyde2,6-Pyridinedicarboxaldehyde>

FX6E2354Y8NSC 13393NSC-13393SB37598DS-10714P0949P59575YSWG467

Datenbank-Bezeichner

CAS: 5431-44-7
PubChem CID: 79485
DTXSID: DTXSID80202681
UNII: FX6E2354Y8
EC Number: 226-589-6
Nikkaji: J28.016J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 47 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 122

Physikochemische Eigenschaften

Schmelzpunkt: 124 · 124-125 °C (lit.)
Siedepunkt: 152 · 152-154 °C/103 mmHg (lit.)
Dichte: 1.3124 · 1.3124 (rough estimate)
Brechungsindex: 1.58 · 1.5800 (estimate)
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Powder
pka: 1.84 · 1.84±0.10(Predicted)
Farbe: White to tan
InChI: InChI=1S/C7H5NO2/c9-4-6-2-1-3-7(5-10)8-6/h1-5H
InChIKey: PMWXGSWIOOVHEQ-UHFFFAOYSA-N
SMILES: C1(C=O)=NC(C=O)=CC=C1
CAS Datenbank: 5431 · 5431-44-7(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2,6-Pyridinedicarboxaldehyde(5431-44-7)

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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,6-Pyridinedicarboxaldehyde is an intermediate used to prepare functionalized resin Amberlite XAD-4,boron-dipyrromethene (BODIPY)-based fluorescence probe with a N,N′-(pyridine-2, 6-diylbis(methylene))-dianiline substituent and novel N-heterocyclic chitosan aerogel derivatives.