Zurück
HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 640368Erstellt: 25. Oktober 2026

2-Ethynylbenzaldehyde

2-Ethynylbenzaldehyde · 2-ETHYLNYLBENZALDEHYDE · 2-Formylphenylacetylene · Benzaldehyde, 2-ethynyl- · 2-Ethynylbenzaldehyde97% · 2-Ethynylbenzaldehyde 97% · 2-ETHYLNYLBENZALDEHYDE, 97% · Benzaldehyde, 2-ethynyl- (9CI)

https://huagongshe.com/de/chemical/640368

Molekülstruktur von 2-Ethynylbenzaldehyde

Identifikatoren & physikalische Daten

CAS No.38846-64-9
SummenformelC9H6O
Durchschnittliche Molmasse130,14 g/mol
Monoisotopische Masse130,04186481 g/mol
SMILESC#Cc1ccccc1C=O
InChIKeyZEDSAJWVTKUHHK-UHFFFAOYSA-N
PubChem CID640368
ChEMBLCHEMBL232450
EC No.627-720-3
DTXSIDDTXSID90348726

Chemische & physikalische Eigenschaften

XLogP2
Polarare Oberfläche (TPSA)17,1
H-Brücken-Donoren0
H-Brücken-Akzeptoren1
Frei drehbare Bindungen2
Schwere Atome10
Formalladung0
Komplexität163
Schmelzpunkt64-67 °C (lit.)
Siedepunkt115 °C(Press: 12 Torr)
Dichte1.07±0.1 g/cm3(Predicted)
LagerbedingungenKeep in dark place,Sealed in dry,Room Temperature
Aggregatzustandsolid
FarbeLight yellow to light brown
InChI1S/C9H6O/c1-2-8-5-3-4-6-9(8)7-10/h1,3-7H
InChIKeyZEDSAJWVTKUHHK-UHFFFAOYSA-N
SMILES[H]C(=O)c1ccccc1C#C

Sicherheit & Vorschriften

GHS-EinstufungWarningH315 (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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)3
Zollcode2912290090
R-Sätze (R)36/37/38
GefahrensymboleXi,F
Sicherheitshinweise (S)26-36
Lagerklasse11 - Combustible Solids
GefahrenklasseEye Irrit. 2Skin Irrit. 2STOT SE 3

Anwendungen & Verwendung

Verwenden

2-Ethynylbenzaldehyde may be used in the synthesis of the following:iodoisoquinoline-fused benzimidazoles obtained via tandem iodocyclization of 2-ethynylbenzaldehyde with o-benzenediamine and iodine in the presence of copper(I)iodideN-[(7,7a-dihydroisoquinolino[2,1-a]perimidin-13-yl)methyl]-N-isopropylpropan-2-amine obtained via a multi-step processIt may also be used in the synthesis of the following substituted 2-alkynylbenzaldehydes by Sonogashira coupling:2-[(2-bromophenyl)ethynyl]benzaldehyde2-[(2-bromo-5-fluorophenyl)ethynyl]benzaldehyde2-[(2-bromo-5-methylphenyl)ethynyl]benzaldehyde2-(phenylethynyl)benzaldehyde2-[(4-methylphenyl)ethynyl]benzaldehyde