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HCID 3693046Erstellt: 24. Oktober 2026

4-(Pyridin-3-yl)benzaldehyde

AKOS BAR-0413 · SALOR-INT L300101-1EA · 4-PYRID-3-YLBENZALDEHYDE · 4-(3-PYRIDYL)BENZALDEHYDE · 3-(4-Formylphenyl)pyridine · 4-(3-PYRIDINYL)BENZALDEHYDE · 4-PYRIDIN-3-YL-BENZALDEHYDE · Benzaldehyde, 4-(3-pyridinyl)-

https://huagongshe.com/de/chemical/3693046

Molekülstruktur von 4-(Pyridin-3-yl)benzaldehyde

Identifikatoren & physikalische Daten

CAS No.127406-55-7
SummenformelC12H9NO
Durchschnittliche Molmasse183,21 g/mol
Monoisotopische Masse183,06841391 g/mol
SMILESO=Cc1ccc(-c2cccnc2)cc1
InChIKeyNXZUVHZZIZHEOP-UHFFFAOYSA-N
PubChem CID3693046
EC No.625-177-7
DTXSIDDTXSID70395132

Chemische & physikalische Eigenschaften

XLogP1,9
Polarare Oberfläche (TPSA)30
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen2
Schwere Atome14
Formalladung0
Komplexität185
Schmelzpunkt52-57 °C
Siedepunkt350.6±25.0 °C(Predicted)
Dichte1.147±0.06 g/cm3(Predicted)
LagerbedingungenKeep in dark place,Sealed in dry,Room Temperature
Aggregatzustandpowder to crystal
pKa (Säurekonstante)4.47±0.10(Predicted)
FarbeWhite to Yellow to Orange
InChI1S/C12H9NO/c14-9-10-3-5-11(6-4-10)12-2-1-7-13-8-12/h1-9H
InChIKeyNXZUVHZZIZHEOP-UHFFFAOYSA-N
SMILES[H]C(=O)c1ccc(cc1)-c2cccnc2
CAS Datenbank127406-55-7(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-EinstufungWarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.8%)
Wassergefährdungsklasse (WGK)3
Zollcode29333990
R-Sätze (R)36/37/38-22
GefahrensymboleXi,Xn
Sicherheitshinweise (S)26-36/37/39-22
GefahrenklasseIRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3
Lagerklasse11 - Combustible Solids
4-(Pyridin-3-yl)benzaldehyde｜Huagongshe