4-Chlorobenzyl bromide

• CAS: 622-95-7
• Catalog Number: ACM622957
• Category: Aryl
• Molecular Weight: 205.48
• Molecular Formula: C₇H₆ClI
• Hazard Statements: H226-H314
• RIDADR: UN 3261 8 / PGII
• Symbol: GHS02

Custom Q&A

What is the PubChem CID of 4-Chlorobenzyl bromide?

PubChem CID is 69329.

What is the molecular formula of 4-Chlorobenzyl bromide?

The molecular formula is C7H6BrCl.

What is the molecular weight of 4-Chlorobenzyl bromide?

The molecular weight is 205.48 g/mol.

What is the IUPAC Name of 4-Chlorobenzyl bromide?

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

What is the InChI of 4-Chlorobenzyl bromide?

The InChI is InChI=1S/C7H6BrCl/c8-5-6-1-3-7(9)4-2-6/h1-4H,5H2.

What is the InChIKey of 4-Chlorobenzyl bromide?

The InChIKey is KQNBRMUBPRGXSL-UHFFFAOYSA-N.

What is the Canonical SMILES of 4-Chlorobenzyl bromide?

The Canonical SMILES is C1=CC(=CC=C1CBr)Cl.

What is the CAS number of 4-Chlorobenzyl bromide?

The CAS number is 622-95-7.

What is the UNII of 4-Chlorobenzyl bromide?

The UNII is RAN8LE8F5N.

Is 4-Chlorobenzyl bromide a canonicalized compound?

Yes, 4-Chlorobenzyl bromide is canonicalized.

Synthetic Use

Upstream Synthesis Route 1

• 106-38-7

• 106-43-4
• 104-83-6
• 622-95-7
• 589-17-3

Reference: [1] Monatshefte fur Chemie, 1999, vol. 130, # 12, p. 1493 - 1497

Downstream Synthesis Route 1

• 622-95-7
• 2948-92-7

• 442-52-4

Reference: [1] Tetrahedron, 2015, vol. 71, # 4, p. 700 - 708
[2] Bioorganic and Medicinal Chemistry, 2013, vol. 21, # 21, p. 6788 - 6795

Downstream Synthesis Route 2

• 622-95-7

• 104-86-9

Reference: [1] Journal of the Chemical Society, 1931, p. 1225,1232
[2] Organic Letters, 2014, vol. 16, # 2, p. 484 - 487
[3] Organic Letters, 2014, vol. 16, # 17, p. 4424 - 4427

Downstream Synthesis Route 3

• 874-33-9
• 622-95-7

• 857939-83-4

Reference: [1]Justus Liebigs Annalen der Chemie,1933,vol. 507,p. 1,9

Downstream Synthesis Route 4

• 622-95-7
• 74-89-5

• 6970-85-0
• 104-11-0

Reference: [1]Journal of the Chemical Society,1929,p. 1206

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