2-Ethynylaniline

• CAS: 52670-38-9
• Catalog Number: ACM52670389
• Category: Alkynes
• Molecular Weight: 117.15
• Molecular Formula: C₈H₄Cl₂
• Hazard Statements: H226-H315-H319-H335
• Symbol: GHS02

Custom Q&A

What is the molecular formula of 2-Ethynylaniline?

The molecular formula of 2-Ethynylaniline is C8H7N.

What is the molecular weight of 2-Ethynylaniline?

The molecular weight of 2-Ethynylaniline is 117.15 g/mol.

What is the IUPAC Name of 2-Ethynylaniline?

The IUPAC Name of 2-Ethynylaniline is 2-ethynylaniline.

What is the InChI of 2-Ethynylaniline?

The InChI of 2-Ethynylaniline is InChI=1S/C8H7N/c1-2-7-5-3-4-6-8(7)9/h1,3-6H,9H2.

What is the InChIKey of 2-Ethynylaniline?

The InChIKey of 2-Ethynylaniline is ALQPJHSFIXARGX-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Ethynylaniline?

The canonical SMILES of 2-Ethynylaniline is C#CC1=CC=CC=C1N.

What is the CAS number of 2-Ethynylaniline?

The CAS number of 2-Ethynylaniline is 52670-38-9.

What is the EC number of 2-Ethynylaniline?

The EC number of 2-Ethynylaniline is 628-712-2.

What is the ChEMBL ID of 2-Ethynylaniline?

The ChEMBL ID of 2-Ethynylaniline is CHEMBL394629.

Is 2-Ethynylaniline a canonicalized compound?

Yes, 2-Ethynylaniline is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 16433-96-8

• 52670-38-9

Reference: [1]European Journal of Medicinal Chemistry,2019,vol. 171,p. 282 - 296
[2]Chemical Communications,2012,vol. 48,p. 7982 - 7984
[3]Journal of the Chemical Society,1949,p. 2393,2396

Upstream Synthesis Route 2

• 103529-16-4

• 52670-38-9

Reference: [1]Location in patent: scheme or table
Li, Zhen; Hong, Longcheng; Liu, Ruiting; Shen, Jianzhong; Zhou, Xigeng
[Tetrahedron Letters, 2011, vol. 52, # 12, p. 1343 - 1347]

Downstream Synthesis Route 1

• 924-44-7
• 52670-38-9

• 4491-33-2

Reference: [1] Organic Letters, 2012, vol. 14, # 3, p. 836 - 839

Downstream Synthesis Route 2

• 110-89-4
• 924-44-7
• 52670-38-9

• 4491-33-2

Reference: [1] Organic Letters, 2012, vol. 14, # 3, p. 836 - 839

Downstream Synthesis Route 3

• 52670-38-9
• 29540-83-8

• 124643-45-4

Reference: [1] Tetrahedron Letters, 1989, vol. 30, # 19, p. 2581 - 2584

Downstream Synthesis Route 4

• 52670-38-9
• 29540-83-8

• 124643-45-4

Reference: [1]Tetrahedron Letters,1989,vol. 30,p. 2581 - 2584

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