4-Bromobenzyl chloride

• CAS: 589-17-3
• Catalog Number: ACM589173
• Category: Bromine Series
• Molecular Weight: 205.48
• Molecular Formula: C₇H₆F₂
• Hazard Statements: H315-H318-H335-H410
• RIDADR: UN 1993C 3 / PGIII
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 4-Bromobenzyl chloride?

The molecular formula is C7H6BrCl.

What is the molecular weight of 4-Bromobenzyl chloride?

The molecular weight is 205.48 g/mol.

What is the IUPAC name of 4-Bromobenzyl chloride?

The IUPAC name is 1-bromo-4-(chloromethyl)benzene.

What is the InChIKey of 4-Bromobenzyl chloride?

The InChIKey is BSIIGUGKOPPTPZ-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Bromobenzyl chloride?

The canonical SMILES is C1=CC(=CC=C1CCl)Br.

What is the CAS number of 4-Bromobenzyl chloride?

The CAS number is 589-17-3.

What is the European Community (EC) number of 4-Bromobenzyl chloride?

The EC number is 209-638-6.

What is the UNII of 4-Bromobenzyl chloride?

The UNII is 6WI1338739.

What is the DSSTox Substance ID of 4-Bromobenzyl chloride?

The DSSTox Substance ID is DTXSID20207630.

Is 4-Bromobenzyl chloride considered a canonicalized compound?

Yes, 4-Bromobenzyl chloride is considered a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 873-75-6

• 589-17-3

Reference: [1] Beilstein Journal of Organic Chemistry, 2014, vol. 10, p. 1397 - 1405

Upstream Synthesis Route 2

• 106-38-7

• 589-17-3

Reference: [1] Tetrahedron Letters, 2011, vol. 52, # 31, p. 4026 - 4029

Upstream Synthesis Route 3

• 24856-58-4

• 589-17-3

Reference: [1] Bulletin of the Chemical Society of Japan, 1991, vol. 64, # 4, p. 1410 - 1412

Upstream Synthesis Route 4

• 873-75-6

• 589-17-3

Reference: [1]Xia, Xuanshu; Toy, Patrick H.
[Beilstein Journal of Organic Chemistry, 2014, vol. 10, p. 1397 - 1405]

Downstream Synthesis Route 1

• 589-17-3
• 1540-29-0

• 857939-30-1

Reference: [1]Proceedings - Indian Academy of Sciences, Section A,1934,vol. 1,p. 407,411

Downstream Synthesis Route 2

• 589-17-3
• 104-11-0

• 857785-87-6

Reference: [1]Justus Liebigs Annalen der Chemie,1926,vol. 449,p. 264

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