1-Bromo-2-ethynylbenzene

• CAS: 766-46-1
• Catalog Number: ACM766461
• Category: Alcohols
• Molecular Weight: 181.03
• Molecular Formula: C₁₂H₁₂O₃
• Hazard Statements: H302-H319
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 1-Bromo-2-ethynylbenzene?

The molecular formula of 1-Bromo-2-ethynylbenzene is C8H5Br.

What is the molecular weight of 1-Bromo-2-ethynylbenzene?

The molecular weight of 1-Bromo-2-ethynylbenzene is 181.03 g/mol.

What is the IUPAC name of 1-Bromo-2-ethynylbenzene?

The IUPAC name of 1-Bromo-2-ethynylbenzene is 1-bromo-2-ethynylbenzene.

What is the InChI of 1-Bromo-2-ethynylbenzene?

The InChI of 1-Bromo-2-ethynylbenzene is InChI=1S/C8H5Br/c1-2-7-5-3-4-6-8(7)9/h1,3-6H.

What is the InChIKey of 1-Bromo-2-ethynylbenzene?

The InChIKey of 1-Bromo-2-ethynylbenzene is RVDOYUFNRDGYGU-UHFFFAOYSA-N.

What is the canonical SMILES of 1-Bromo-2-ethynylbenzene?

The canonical SMILES of 1-Bromo-2-ethynylbenzene is C#CC1=CC=CC=C1Br.

What is the CAS number of 1-Bromo-2-ethynylbenzene?

The CAS number of 1-Bromo-2-ethynylbenzene is 766-46-1.

What is the XLogP3-AA value of 1-Bromo-2-ethynylbenzene?

The XLogP3-AA value of 1-Bromo-2-ethynylbenzene is 2.9.

Is 1-Bromo-2-ethynylbenzene a canonicalized compound?

Yes, 1-Bromo-2-ethynylbenzene is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 38274-16-7

• 766-46-1

Reference: [1] Journal of the American Chemical Society, 2008, vol. 130, # 34, p. 11535 - 11545

Upstream Synthesis Route 2

• 90965-06-3
• 6630-33-7

• 766-46-1

Reference: [1] Organic Letters, 2013, vol. 15, # 11, p. 2582 - 2585
[2] Angewandte Chemie, International Edition, 2009, vol. 48, p. 4017 - 4021[3] Angewandte Chemie, 2009, vol. 121, p. 4077 - 4081
[4] Tetrahedron, 2006, vol. 62, # 28, p. 6673 - 6680

Upstream Synthesis Route 3

• 38274-16-7

• 766-46-1

Reference: [1]Alabugin, Igor V.; Gilmore, Kerry; Patil, Satish; Manoharan, Mariappan; Kovalenko, Serguei V.; Clark, Ronald J.; Ghiviriga, Ion
[Journal of the American Chemical Society, 2008, vol. 130, # 34, p. 11535 - 11545]

Downstream Synthesis Route 1

• 766-46-1

• 4001-73-4

Reference: [1] Advanced Synthesis and Catalysis, 2016, vol. 358, # 3, p. 500 - 505

Downstream Synthesis Route 2

• 583-55-1
• 766-46-1

• 38399-13-2

Reference: [1]Bentley, Keith W.; De Los Santos, Zeus A.; Weiss, Mary J.; Wolf, Christian
[Chirality, 2015, vol. 27, # 10, p. 700 - 707]

Downstream Synthesis Route 3

• 766-46-1
• 63262-06-6

• 625389-87-9

Reference: [1]Journal of the American Chemical Society,2003,vol. 125,p. 13662 - 13663
[2]Patent: EP1548019,2005,A1 .Location in patent: Page/Page column 11-12
[3]Tetrahedron Letters,2009,vol. 50,p. 2860 - 2864

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