3-Chlorobenzyl chloride

• CAS: 620-20-2
• Catalog Number: ACM620202
• Category: Aryl
• Molecular Weight: 161.03
• Molecular Formula: C₉H₁₁I
• Hazard Statements: H315
• RIDADR: UN 3261 8 / PGII
• Symbol: GHS07

Custom Q&A

What is the PubChem CID for 3-Chlorobenzyl chloride?

PubChem CID 12103.

What is the molecular formula of 3-Chlorobenzyl chloride?

The molecular formula is C7H6Cl2.

What is the molecular weight of 3-Chlorobenzyl chloride?

The molecular weight is 161.03 g/mol.

What is the IUPAC name of 3-Chlorobenzyl chloride?

The IUPAC name is 1-chloro-3-(chloromethyl)benzene.

What is the InChI of 3-Chlorobenzyl chloride?

The InChI is InChI=1S/C7H6Cl2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5H2.

What is the InChIKey of 3-Chlorobenzyl chloride?

The InChIKey is DDGRAFHHXYIQQR-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Chlorobenzyl chloride?

The canonical SMILES is C1=CC(=CC(=C1)Cl)CCl.

What is the CAS number of 3-Chlorobenzyl chloride?

The CAS number is 620-20-2.

What is the ChEMBL ID of 3-Chlorobenzyl chloride?

The ChEMBL ID is CHEMBL3561692.

Is 3-Chlorobenzyl chloride a canonicalized compound?

Yes, it is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 7791-25-5
• 591-17-3
• 94-36-0

• 823-78-9
• 620-20-2
• 932-77-4

Reference: [1] Journal of the American Chemical Society, 1951, vol. 73, p. 2940

Downstream Synthesis Route 1

• 620-20-2

• 766-80-3

Reference: [1] Journal of the American Chemical Society, 1980, vol. 102, # 2, p. 692 - 697

Downstream Synthesis Route 2

• 620-20-2

• 4152-90-3

Reference: [1] Patent: US5210303, 1993, A,

Downstream Synthesis Route 3

• 620-20-2
• 99-96-7

• 84403-70-3

Reference: [1]Journal of the Chemical Society,1935,p. 1835
Journal of the Chemical Society,1938,p. 1414

Downstream Synthesis Route 4

• 620-20-2

• 51421-12-6

Reference: [1]Chemische Berichte,1959,vol. 92,p. 429,435

Downstream Synthesis Route 5

• 272-14-0
• 620-20-2

• 55142-86-4

Reference: [1]European Journal of Medicinal Chemistry,1974,vol. 9,p. 483 - 486

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