2,4,5-Trifluorobenzyl bromide

• CAS: 157911-56-3
• Catalog Number: ACM157911563
• Category: Bromine Series
• Molecular Weight: 225.0078
• Molecular Formula: C7H4BrF3
• MDL Number: MFCD00061209
• Size: 1g,5g,25g,100g

Custom Q&A

What is the molecular formula of 2,4,5-Trifluorobenzyl Bromide?

The molecular formula of 2,4,5-Trifluorobenzyl Bromide is C7H4BrF3.

What is the molecular weight of 2,4,5-Trifluorobenzyl Bromide?

The molecular weight of 2,4,5-Trifluorobenzyl Bromide is 225.01 g/mol.

What is the IUPAC name of 2,4,5-Trifluorobenzyl Bromide?

The IUPAC name of 2,4,5-Trifluorobenzyl Bromide is 1-(bromomethyl)-2,4,5-trifluorobenzene.

What is the InChI of 2,4,5-Trifluorobenzyl Bromide?

The InChI of 2,4,5-Trifluorobenzyl Bromide is InChI=1S/C7H4BrF3/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2H,3H2.

What is the InChIKey of 2,4,5-Trifluorobenzyl Bromide?

The InChIKey of 2,4,5-Trifluorobenzyl Bromide is GAUXEYCSWSMMFZ-UHFFFAOYSA-N.

What is the canonical SMILES of 2,4,5-Trifluorobenzyl Bromide?

The canonical SMILES of 2,4,5-Trifluorobenzyl Bromide is C1=C(C(=CC(=C1F)F)F)CBr.

What is the CAS number of 2,4,5-Trifluorobenzyl Bromide?

The CAS number of 2,4,5-Trifluorobenzyl Bromide is 157911-56-3.

What is the European Community (EC) number of 2,4,5-Trifluorobenzyl Bromide?

The European Community (EC) number of 2,4,5-Trifluorobenzyl Bromide is 642-693-8.

What is the XLogP3-AA value of 2,4,5-Trifluorobenzyl Bromide?

The XLogP3-AA value of 2,4,5-Trifluorobenzyl Bromide is 2.8.

Is 2,4,5-Trifluorobenzyl Bromide a canonicalized compound?

Yes, 2,4,5-Trifluorobenzyl Bromide is a canonicalized compound.

Synthetic Use

Downstream Synthesis Route 1

• 157911-56-3

• 764667-65-4

Reference: [1] Patent: CN104987338, 2017, B, . Location in patent: Paragraph 0023; 0049; 0050; 0051; 0052; 0055; 0056

Downstream Synthesis Route 2

• 157911-56-3

• 486460-09-7

Reference: [1] Journal of Medicinal Chemistry, 2005, vol. 48, # 1, p. 141 - 151

Downstream Synthesis Route 3

• 1068-90-2
• 157911-56-3

• 324027-92-1

Reference: [1]Parmeggiani, Fabio; Rué Casamajo, Arnau; Colombo, Danilo; Ghezzi, Maria Chiara; Galman, James L.; Chica, Roberto A.; Brenna, Elisabetta; Turner, Nicholas J.
[Green Chemistry, 2019, vol. 21, # 16, p. 4368 - 4379]
[2]Matsushima; Fujita; Okada; Shirasu; Nose; Shimohigashi
[Bulletin of the Chemical Society of Japan, 2000, vol. 73, # 11, p. 2531 - 2538]

Downstream Synthesis Route 4

• 78342-42-4
• 157911-56-3

• 486460-07-5

Reference: [1]Kim, Dooseop; Wang, Liping; Beconi, Maria; Eiermann, George J.; Fisher, Michael H.; He, Huaibing; Hickey, Gerard J.; Kowalchick, Jennifer E.; Leiting, Barbara; Lyons, Kathryn; Marsilio, Frank; McCann, Margaret E.; Patel, Reshma A.; Petrov, Aleksandr; Scapin, Giovanna; Patel, Sangita B.; Roy, Ranabir Sinha; Wu, Joseph K.; Wyvratt, Matthew J.; Zhang, Bei B.; Zhu, Lan; Thornberry, Nancy A.; Weber, Ann E.
[Journal of Medicinal Chemistry, 2005, vol. 48, # 1, p. 141 - 151]
[2]Current Patent Assignee: MERCK & CO INC - WO2006/23750, 2006, A2
Location in patent: Page/Page column 42-43

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