2-Ethynylbenzaldehyde
ALDRICH/590630 - 97%
CAS Number: 38846-64-9
Empirical Formula (Hill Notation): C9H6O
Molecular Weight: 130.14
MDL Number: MFCD04039985
Linear Formula: HC≡CC6H4CHO
Product Type: Chemical
assay | 97% |
form | solid |
InChI | 1S/C9H6O/c1-2-8-5-3-4-6-9 |
InChI key | ZEDSAJWVTKUHHK-UHFFFAOYSA |
mp | 64-67 °C (lit.) |
SMILES string | [H]C(=O)c1ccccc1C#C |
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-dihydroisoquinoli 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 |
Packaging: | 1, 5 g in glass bottle |
Symbol | GHS07 |
Signal word | Warning |
Hazard statements | H315 - H319 - H335 |
Precautionary statements | P302 + P352 - P305 + P351 + P338 |
Hazard Codes | Xi |
Risk Statements | 36/37/38 |
Safety Statements | 26-36 |
RIDADR | NONH for all modes of transport |
WGK Germany | WGK 3 |
Flash Point(F) | Not applicable |
Flash Point(C) | Not applicable |
Purity | 97% |
mp | 64-67 °C (lit.) |
UNSPSC | 12352100 |