4-(Methylsulfonyl)benzyl Bromide

• CAS: 53606-06-7
• Catalog Number: ACM53606067
• Category: Bromine Series

Custom Q&A

What is the molecular formula of 4-(Methylsulfonyl)benzyl Bromide?

The molecular formula is C8H9BrO2S.

What is the molecular weight of 4-(Methylsulfonyl)benzyl Bromide?

The molecular weight is 249.13 g/mol.

What is the IUPAC name of 4-(Methylsulfonyl)benzyl Bromide?

The IUPAC name is 1-(bromomethyl)-4-methylsulfonylbenzene.

What is the InChI of 4-(Methylsulfonyl)benzyl Bromide?

The InChI is InChI=1S/C8H9BrO2S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3.

What is the InChIKey of 4-(Methylsulfonyl)benzyl Bromide?

The InChIKey is HGKPAXHJTMHWAH-UHFFFAOYSA-N.

What is the canonical SMILES of 4-(Methylsulfonyl)benzyl Bromide?

The canonical SMILES is CS(=O)(=O)C1=CC=C(C=C1)CBr.

What is the CAS number of 4-(Methylsulfonyl)benzyl Bromide?

The CAS number is 53606-06-7.

What is the European Community (EC) number of 4-(Methylsulfonyl)benzyl Bromide?

The EC number is 679-455-8.

What is the XLogP3-AA value of 4-(Methylsulfonyl)benzyl Bromide?

The XLogP3-AA value is 1.7.

Is 4-(Methylsulfonyl)benzyl Bromide a canonicalized compound?

Yes, 4-(Methylsulfonyl)benzyl Bromide is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 22821-77-8

• 53606-06-7

Reference: [1] Patent: WO2017/136871, 2017, A1, . Location in patent: Paragraph 0223

Upstream Synthesis Route 2

• 3185-99-7

• 53606-06-7

Reference: [1] Synlett, 2003, # 5, p. 702 - 704

Upstream Synthesis Route 3

• 4052-30-6

• 53606-06-7

Reference: [1] Journal of Medicinal Chemistry, 1989, vol. 32, # 8, p. 1757 - 1763
[2] Canadian Journal of Chemistry, 1984, vol. 62, p. 2330 - 2336

Upstream Synthesis Route 4

• 3185-99-7

• 53606-06-7

Reference: [1]Synlett,2003,p. 702 - 704

Upstream Synthesis Route 5

• 22821-77-8

• 53606-06-7

Reference: [1]Patent: WO2017/136871,2017,A1 .Location in patent: Paragraph 0223

Downstream Synthesis Route 1

• 53606-06-7

• 22821-77-8

Reference: [1]Chemische Berichte,1970,vol. 103,p. 3850 - 3861

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