3-Ethynylbenzaldehyde

• CAS: 77123-56-9
• Catalog Number: ACM77123569
• Category: Alkynes
• Molecular Weight: 130.14
• Molecular Formula: C9H6O
• Hazard Statements: H315-H319-H335
• RIDADR: UN 1993C 3 / PGIII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 3-ethynylbenzaldehyde?

The molecular formula of 3-ethynylbenzaldehyde is C9H6O.

What is the molecular weight of 3-ethynylbenzaldehyde?

The molecular weight of 3-ethynylbenzaldehyde is 130.14 g/mol.

What is the IUPAC name of 3-ethynylbenzaldehyde?

The IUPAC name of 3-ethynylbenzaldehyde is 3-ethynylbenzaldehyde.

What is the InChI of 3-ethynylbenzaldehyde?

The InChI of 3-ethynylbenzaldehyde is InChI=1S/C9H6O/c1-2-8-4-3-5-9(6-8)7-10/h1,3-7H.

What is the InChIKey of 3-ethynylbenzaldehyde?

The InChIKey of 3-ethynylbenzaldehyde is IGIUWNVGCVCNPV-UHFFFAOYSA-N.

What is the canonical SMILES of 3-ethynylbenzaldehyde?

The canonical SMILES of 3-ethynylbenzaldehyde is C#CC1=CC=CC(=C1)C=O.

What is the CAS number of 3-ethynylbenzaldehyde?

The CAS number of 3-ethynylbenzaldehyde is 77123-56-9.

What is the XLogP3 value of 3-ethynylbenzaldehyde?

The XLogP3 value of 3-ethynylbenzaldehyde is 1.8.

Is 3-ethynylbenzaldehyde a canonical compound?

Yes, 3-ethynylbenzaldehyde is a canonical compound.

Synthetic Use

Upstream Synthesis Route 1

• 77123-55-8

• 77123-56-9

Reference: [1] Journal of the American Chemical Society, 2009, vol. 131, # 34, p. 12218 - 12229

Upstream Synthesis Route 2

• 117569-61-6

• 77123-56-9

Reference: [1] Patent: US4766251, 1988, A,

Upstream Synthesis Route 3

• 10602-07-0

• 77123-56-9

Reference: [1] Chemical Communications, 2011, vol. 47, # 17, p. 5004 - 5006
[2] Russian Chemical Bulletin, 2002, vol. 51, # 1, p. 128 - 134[3] Izvestiya Akademi Nauk, Seriya Khimicheskaya, 2002, # 1, p. 122 - 127

Upstream Synthesis Route 4

• 77123-55-8

• 77123-56-9

Reference: [1]Journal of the American Chemical Society,2009,vol. 131,p. 12218 - 12229

Downstream Synthesis Route 1

• 77123-56-9
• 802-52-8

• 130829-43-5

Reference: [1]Angewandte Chemie,1990,vol. 102,p. 1478 - 1480
[2]Journal of the Chemical Society. Perkin transactions I,1995,p. 2223 - 2230

* For details of the synthesis route, please refer to the original source to ensure accuracy.