5-Bromo-2-methoxybenzene-1-sulfonyl chloride

• CAS: 23095-05-8
• Catalog Number: ACM23095058
• Category: Bromine Series
• Molecular Weight: 285.54
• Molecular Formula: C₇H₆O₃BrClS

Custom Q&A

What is the molecular formula of 5-Bromo-2-methoxybenzene-1-sulfonyl chloride?

The molecular formula of 5-Bromo-2-methoxybenzene-1-sulfonyl chloride is C7H6BrClO3S.

What is the molecular weight of 5-Bromo-2-methoxybenzene-1-sulfonyl chloride?

The molecular weight of 5-Bromo-2-methoxybenzene-1-sulfonyl chloride is 285.54 g/mol.

What is the IUPAC name of 5-Bromo-2-methoxybenzene-1-sulfonyl chloride?

The IUPAC name of 5-Bromo-2-methoxybenzene-1-sulfonyl chloride is 5-bromo-2-methoxybenzenesulfonyl chloride.

What is the InChI of 5-Bromo-2-methoxybenzene-1-sulfonyl chloride?

The InChI of 5-Bromo-2-methoxybenzene-1-sulfonyl chloride is InChI=1S/C7H6BrClO3S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,1H3.

What is the InChIKey of 5-Bromo-2-methoxybenzene-1-sulfonyl chloride?

The InChIKey of 5-Bromo-2-methoxybenzene-1-sulfonyl chloride is IXSBNNRUQYYMRM-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Bromo-2-methoxybenzene-1-sulfonyl chloride?

The canonical SMILES of 5-Bromo-2-methoxybenzene-1-sulfonyl chloride is COC1=C(C=C(C=C1)Br)S(=O)(=O)Cl.

What is the CAS number of 5-Bromo-2-methoxybenzene-1-sulfonyl chloride?

The CAS number of 5-Bromo-2-methoxybenzene-1-sulfonyl chloride is 23095-05-8.

What is the EC number of 5-Bromo-2-methoxybenzene-1-sulfonyl chloride?

The EC number of 5-Bromo-2-methoxybenzene-1-sulfonyl chloride is 625-262-9.

What is the molecular weight of 5-Bromo-2-methoxybenzene-1-sulfonyl chloride in monoisotopic mass?

The molecular weight of 5-Bromo-2-methoxybenzene-1-sulfonyl chloride in monoisotopic mass is 283.89096 g/mol.

Is 5-Bromo-2-methoxybenzene-1-sulfonyl chloride a canonicalized compound?

Yes, 5-Bromo-2-methoxybenzene-1-sulfonyl chloride is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 104-92-7

• 23095-05-8

Reference: [1]Dörr, Carolin; Diehl, Erika; Hellmich, Ute A.; Schollmeyer, Dieter; Shimizu, Akihiro; Waldvogel, Siegfried R.; Wesenberg, Lars J.; Yoshida, Jun-ichi; Zähringer, Till J. B.
[Chemistry - A European Journal, 2020, vol. 26, # 72, p. 17574 - 17580]

Downstream Synthesis Route 1

• 23095-05-8

• 23095-14-9

Reference: [1]Kornahrens, Anne F.; Cognetta, Armand B.; Brody, Daniel M.; Matthews, Megan L.; Cravatt, Benjamin F.; Boger, Dale L.
[Journal of the American Chemical Society, 2017, vol. 139, # 20, p. 7052 - 7061]
[2]Location in patent: experimental part
Fomovska, Alina; Huang, Qingqing; El Bissati, Kamal; Mui, Ernest J.; Witola, William H.; Cheng, Gang; Zhou, Ying; Sommerville, Caroline; Roberts, Craig W.; Bettis, Sam; Prigge, Sean T.; Afanador, Gustavo A.; Hickman, Mark R.; Lee, Patty J.; Leed, Susan E.; Auschwitz, Jennifer M.; Pieroni, Marco; Stec, Jozef; Muench, Stephen P.; Rice, David W.; Kozikowski, Alan P.; McLeod, Rima
[Antimicrobial Agents and Chemotherapy, 2012, vol. 56, # 5, p. 2666 - 2682]
[3]Cremlyn,R.J.W.; Hornby,R.
[Journal of the Chemical Society C: Organic, 1969, p. 1341 - 1345]

Downstream Synthesis Route 2

• 23095-05-8

• 23095-06-9

Reference: [1]Luzina, Elena L.; Popov, Anatoliy V.
[Journal of Fluorine Chemistry, 2013, vol. 148, p. 41 - 48]
[2]Cremlyn,R.J.W.; Hornby,R.
[Journal of the Chemical Society C: Organic, 1969, p. 1341 - 1345]
[3]Kumar, Nag S.; Amandoron, Emily A.; Cherkasov, Artem; Brett Finlay; Gong, Huansheng; Jackson, Linda; Kaur, Sukhbir; Lian, Tian; Moreau, Anne; Labrière, Christophe; Reiner, Neil E.; See, Raymond H.; Strynadka, Natalie C.; Thorson, Lisa; Wong, Edwin W.Y.; Worrall, Liam; Zoraghi, Roya; Young, Robert N.
[Bioorganic and Medicinal Chemistry, 2012, vol. 20, # 24, p. 7069 - 7082]

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