590630

2-Ethynylbenzaldehyde

97%

• Linear Formula: HC≡CC₆H₄CHO
• CAS Number: 38846-64-9
• Molecular Weight: 130.14
• MDL number: MFCD04039985
• UNSPSC Code: 12352100
• PubChem Substance ID: 24881289
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 97%
• form: solid
• mp: 64-67 °C (lit.)
• functional group: aldehyde
• SMILES string: [H]C(=O)c1ccccc1C#C
• InChI: 1S/C9H6O/c1-2-8-5-3-4-6-9(8)7-10/h1,3-7H
• InChI key: ZEDSAJWVTKUHHK-UHFFFAOYSA-N

Description

Application

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)iodide
• N-[(7,7a-dihydroisoquinolino[2,1-a]perimidin-13-yl)methyl]-N-isopropylpropan-2-amine obtained via a multi-step process

It may also be used in the synthesis of the following substituted 2-alkynylbenzaldehydes by Sonogashira coupling:

• 2-[(2-bromophenyl)ethynyl]benzaldehyde
• 2-[(2-bromo-5-fluorophenyl)ethynyl]benzaldehyde
• 2-[(2-bromo-5-methylphenyl)ethynyl]benzaldehyde
• 2-(phenylethynyl)benzaldehyde
• 2-[(4-methylphenyl)ethynyl]benzaldehyde

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves