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590630

2-Ethynylbenzaldehyde

97%

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About This Item

Linear Formula:
HC≡CC6H4CHO
CAS Number:
38846-64-9
Molecular Weight:
130.14
NACRES:
NA.22
PubChem Substance ID:
24881289
UNSPSC Code:
12352100
MDL number:
MFCD04039985
Assay:
97%
Form:
solid
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Quality Segment

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

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

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Codes

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

PPE (personal protective equipment)

dust mask type N95 (US), Eyeshields, Gloves

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