2-Chloro-5-fluorobenzyl bromide

• CAS: 81778-09-8
• Catalog Number: ACM81778098
• Category: Bromine Series
• Molecular Weight: 223.47
• Molecular Formula: C₇H₅BrClF
• Hazard Statements: H301-H410
• RIDADR: UN 1993BF 3 / PGII
• Symbol: GHS06

Custom Q&A

What is the molecular formula of 2-Chloro-5-fluorobenzyl bromide?

The molecular formula is C7H5BrClF.

What is the molecular weight of 2-Chloro-5-fluorobenzyl bromide?

The molecular weight is 223.47 g/mol.

What is the IUPAC name of 2-Chloro-5-fluorobenzyl bromide?

The IUPAC name is 2-(bromomethyl)-1-chloro-4-fluorobenzene.

What is the InChI of 2-Chloro-5-fluorobenzyl bromide?

The InChI is InChI=1S/C7H5BrClF/c8-4-5-3-6(10)1-2-7(5)9/h1-3H,4H2.

What is the InChIKey of 2-Chloro-5-fluorobenzyl bromide?

The InChIKey is AUVLFQDKJFSFIX-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Chloro-5-fluorobenzyl bromide?

The canonical SMILES is C1=CC(=C(C=C1F)CBr)Cl.

What is the CAS number of 2-Chloro-5-fluorobenzyl bromide?

The CAS number is 81778-09-8.

What is the XLogP3-AA value of 2-Chloro-5-fluorobenzyl bromide?

The XLogP3-AA value is 3.2.

How many hydrogen bond donor counts does 2-Chloro-5-fluorobenzyl bromide have?

It has 0 hydrogen bond donor counts.

How many rotatable bond counts does 2-Chloro-5-fluorobenzyl bromide have?

It has 1 rotatable bond count.

Synthetic Use

Upstream Synthesis Route 1

• 33406-96-1

• 81778-09-8

Reference: [1]Journal of Heterocyclic Chemistry,1997,vol. 34,p. 27 - 32
[2]Journal of Organic Chemistry,1983,vol. 48,p. 526 - 532
[3]Patent: EP1659123,2006,A1 .Location in patent: Page/Page column 143
[4]Bioorganic and Medicinal Chemistry Letters,2013,vol. 23,p. 1846 - 1852

Downstream Synthesis Route 1

• 81778-09-8

• 84194-30-9

Reference: [1] Journal of Organic Chemistry, 1983, vol. 48, # 4, p. 526 - 532

Downstream Synthesis Route 2

• 81778-09-8

• 395675-23-7

Reference: [1] Patent: KR2017/43091, 2017, A, . Location in patent: Paragraph 1230-1233

Downstream Synthesis Route 3

• 81778-09-8

• 84194-30-9

Reference: [1]Journal of Organic Chemistry,1983,vol. 48,p. 526 - 532

Downstream Synthesis Route 4

• 98273-79-1
• 81778-09-8

• 188622-53-9

Reference: [1]Journal of Heterocyclic Chemistry,1997,vol. 34,p. 27 - 32

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