2-Chloro-4-methoxybenzyl bromide

• CAS: 54788-17-9
• Catalog Number: ACM54788179
• Category: Aryl
• Molecular Weight: 235.51
• Molecular Formula: C8H8OBrCl
• Hazard Statements: H314-H335
• RIDADR: UN 2811 6.1 / PGIII
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 2-Chloro-4-methoxybenzyl bromide?

The molecular formula of 2-Chloro-4-methoxybenzyl bromide is C8H8BrClO.

What is the molecular weight of 2-Chloro-4-methoxybenzyl bromide?

The molecular weight of 2-Chloro-4-methoxybenzyl bromide is 235.50 g/mol.

What is the IUPAC name of 2-Chloro-4-methoxybenzyl bromide?

The IUPAC name of 2-Chloro-4-methoxybenzyl bromide is 1-(bromomethyl)-2-chloro-4-methoxybenzene.

What is the InChI of 2-Chloro-4-methoxybenzyl bromide?

The InChI of 2-Chloro-4-methoxybenzyl bromide is InChI=1S/C8H8BrClO/c1-11-7-3-2-6(5-9)8(10)4-7/h2-4H,5H2,1H3.

What is the InChIKey of 2-Chloro-4-methoxybenzyl bromide?

The InChIKey of 2-Chloro-4-methoxybenzyl bromide is UIOYCWAQKOLSMA-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Chloro-4-methoxybenzyl bromide?

The canonical SMILES of 2-Chloro-4-methoxybenzyl bromide is COC1=CC(=C(C=C1)CBr)Cl.

What is the CAS number of 2-Chloro-4-methoxybenzyl bromide?

The CAS number of 2-Chloro-4-methoxybenzyl bromide is 54788-17-9.

What is the European Community (EC) number of 2-Chloro-4-methoxybenzyl bromide?

The European Community (EC) number of 2-Chloro-4-methoxybenzyl bromide is 679-438-5.

What is the XLogP3 value of 2-Chloro-4-methoxybenzyl bromide?

The XLogP3 value of 2-Chloro-4-methoxybenzyl bromide is 3.3.

Is 2-Chloro-4-methoxybenzyl bromide a canonicalized compound?

Yes, 2-Chloro-4-methoxybenzyl bromide is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 54788-38-4

• 54788-17-9

Reference: [1]Patent: US2009/111800,2009,A1 .Location in patent: Page/Page column 27

Upstream Synthesis Route 2

• 334018-24-5

• 54788-17-9

Reference: [1]Palmer, Brian D.; Thompson, Andrew M.; Booth, R. John; Dobrusin, Ellen M.; Kraker, Alan J.; Lee, Ho H.; Lunney, Elizabeth A.; Mitchell, Lorna H.; Ortwine, Daniel F.; Smaill, Jeff B.; Swan, Leesa M.; Denny, William A.
[Journal of Medicinal Chemistry, 2006, vol. 49, # 16, p. 4896 - 4911]
[2]Current Patent Assignee: GILEAD SCIENCES INC - WO2011/20615, 2011, A1
Location in patent: Page/Page column 69; 70
[3]Beletskaya, Irina P.; Titanyuk, Igor D.
[Journal of Organic Chemistry, 2022, vol. 87, # 5, p. 2748 - 2757]

Downstream Synthesis Route 1

• 54788-17-9
• 122-52-1

• 67205-77-0

Reference: [1]Beletskaya, Irina P.; Titanyuk, Igor D.
[Journal of Organic Chemistry, 2022, vol. 87, # 5, p. 2748 - 2757]
[2]Diana; Carabateas; Johnson; Williams; Pancic; Collins
[Journal of Medicinal Chemistry, 1978, vol. 21, # 9, p. 889 - 894]
[3]Current Patent Assignee: GILEAD SCIENCES INC - WO2011/20615, 2011, A1
Location in patent: Page/Page column 69; 70

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