3-Methylbenzyl chloride

• CAS: 620-19-9
• Catalog Number: ACM620199
• Category: Aryl
• Molecular Weight: 140.61
• Molecular Formula: C₆H₃F₂NO₃
• Hazard Statements: H301
• RIDADR: UN 1993C 3 / PGIII
• Symbol: GHS06

Custom Q&A

What is the molecular formula of 3-Methylbenzyl chloride?

The molecular formula of 3-Methylbenzyl chloride is C8H9Cl.

What is the molecular weight of 3-Methylbenzyl chloride?

The molecular weight of 3-Methylbenzyl chloride is 140.61 g/mol.

What is the IUPAC name of 3-Methylbenzyl chloride?

The IUPAC name of 3-Methylbenzyl chloride is 1-(chloromethyl)-3-methylbenzene.

What is the InChI key of 3-Methylbenzyl chloride?

The InChI key of 3-Methylbenzyl chloride is LZBOHNCMCCSTJX-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Methylbenzyl chloride?

The canonical SMILES of 3-Methylbenzyl chloride is CC1=CC(=CC=C1)CCl.

What is the CAS number of 3-Methylbenzyl chloride?

The CAS number of 3-Methylbenzyl chloride is 620-19-9.

What is the UNII of 3-Methylbenzyl chloride?

The UNII of 3-Methylbenzyl chloride is 771291VTT8.

What is the EC number of 3-Methylbenzyl chloride?

The EC number of 3-Methylbenzyl chloride is 210-628-9.

What is the XLogP3 value of 3-Methylbenzyl chloride?

The XLogP3 value of 3-Methylbenzyl chloride is 2.9.

Is 3-Methylbenzyl chloride a canonicalized compound?

Yes, 3-Methylbenzyl chloride is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 587-03-1

• 620-19-9

Reference: [1]Ghalehbandi, Shermineh sadat; Ghazanfari, Dadkhoda; Ahmadi, Sayed Ali; Sheikhhosseini, Enayatollah
[Organic Preparations and Procedures International, 2021, vol. 53, # 2, p. 176 - 183]

Downstream Synthesis Route 1

• 773837-37-9
• 620-19-9

• 2947-60-6

Reference: [1] Journal of Molecular Catalysis A: Chemical, 2012, vol. 365, p. 80 - 86
[2] Applied Organometallic Chemistry, 2018, vol. 32, # 4,
[3] Applied Organometallic Chemistry, 2018, vol. 32, # 2,
[4] Catalysis Communications, 2012, vol. 18, p. 102 - 105

Downstream Synthesis Route 2

• 620-19-9

• 2947-60-6

Reference: [1] Tetrahedron Letters, 2011, vol. 52, # 39, p. 5107 - 5109
[2] Tetrahedron Letters, 2012, vol. 53, # 23, p. 2825 - 2827

Downstream Synthesis Route 3

• 620-19-9
• 143-33-9

• 2947-60-6

Reference: [1] Recueil des Travaux Chimiques des Pays-Bas, 1960, vol. 79, p. 1211 - 1222
[2] Collection of Czechoslovak Chemical Communications, 1979, vol. 44, # 9, p. 2677 - 2688

Downstream Synthesis Route 4

• 620-19-9
• 699-04-7

• 876476-20-9

Reference: [1]Justus Liebigs Annalen der Chemie,1931,vol. 490,p. 189,200

Downstream Synthesis Route 5

• 272-14-0
• 620-19-9

• 55142-80-8

Reference: [1]European Journal of Medicinal Chemistry,2021,vol. 226
[2]Recueil des Travaux Chimiques des Pays-Bas,1922,vol. 41,p. 307

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