4-Trifluoromethylbenzyl Chloride

• CAS: 939-99-1
• Catalog Number: ACM939991
• Category: Other Products
• Molecular Weight: 194.58
• Molecular Formula: C₈H₆BrF₃O
• Hazard Statements: H302
• RIDADR: UN 2810 6.1 / PGIII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 4-Trifluoromethylbenzyl Chloride?

The molecular formula of 4-Trifluoromethylbenzyl Chloride is C8H6ClF3.

What are some synonyms for 4-Trifluoromethylbenzyl Chloride?

Some synonyms for 4-Trifluoromethylbenzyl Chloride include 4-(Trifluoromethyl)benzyl chloride and p-Trifluoromethylbenzyl chloride.

When was 4-Trifluoromethylbenzyl Chloride first created?

4-Trifluoromethylbenzyl Chloride was first created on July 19, 2005.

What is the InChIKey of 4-Trifluoromethylbenzyl Chloride?

The InChIKey of 4-Trifluoromethylbenzyl Chloride is MCHDHQVROPEJJT-UHFFFAOYSA-N.

How many hydrogen bond acceptors does 4-Trifluoromethylbenzyl Chloride have?

4-Trifluoromethylbenzyl Chloride has 3 hydrogen bond acceptors.

What is the topological polar surface area of 4-Trifluoromethylbenzyl Chloride?

The topological polar surface area of 4-Trifluoromethylbenzyl Chloride is 0?2.

Is 4-Trifluoromethylbenzyl Chloride a canonicalized compound?

Yes, 4-Trifluoromethylbenzyl Chloride is a canonicalized compound.

What is the heavy atom count of 4-Trifluoromethylbenzyl Chloride?

The heavy atom count of 4-Trifluoromethylbenzyl Chloride is 12.

How many rotatable bonds does 4-Trifluoromethylbenzyl Chloride have?

4-Trifluoromethylbenzyl Chloride has 1 rotatable bond.

What is the molecular weight of 4-Trifluoromethylbenzyl Chloride?

The molecular weight of 4-Trifluoromethylbenzyl Chloride is 194.58 g/mol.

Synthetic Use

Upstream Synthesis Route 1

• 349-95-1

• 939-99-1

Reference: [1]Patent: CN111196785,2020,A .Location in patent: Paragraph 0053; 0060-0061; 0063

Upstream Synthesis Route 2

• 6140-17-6

• 939-99-1

Reference: [1]Jeran, Marko; Cotman, Andrej Emanuel; Stephan, Michel; Mohar, Barbara
[Organic Letters, 2017, vol. 19, # 8, p. 2042 - 2045]
[2]Motoshima, Kazunori; Sugita, Kazuyuki; Hashimoto, Yuichi; Ishikawa, Minoru
[Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 10, p. 3041 - 3045]
[3]Novotny; Collins; Starks
[Journal of Pharmaceutical Sciences, 1973, vol. 62, # 6, p. 910 - 913]
[4]Schaffarczyk McHale, Karin S.; Haines, Ronald S.; Harper, Jason B.
[ChemPlusChem, 2018, vol. 83, # 12, p. 1162 - 1168]

Downstream Synthesis Route 1

• 143-33-9
• 939-99-1

• 2338-75-2

Reference: [1] Helvetica Chimica Acta, 1971, vol. 54, p. 868 - 897
[2] Journal of pharmaceutical sciences, 1973, vol. 62, # 6, p. 910 - 913

Downstream Synthesis Route 2

• 124-38-9
• 939-99-1

• 32857-62-8

Reference: [1] Journal of the American Chemical Society, 2013, vol. 135, # 4, p. 1221 - 1224
[2] Chemical Communications, 2002, # 23, p. 2798 - 2799

Downstream Synthesis Route 3

• 124-38-9
• 939-99-1

• 6140-17-6
• 32857-62-8

Reference: [1] Journal of the Chemical Society - Dalton Transactions, 1996, # 8, p. 1613 - 1618
[2] Journal of the Chemical Society - Dalton Transactions, 1996, # 8, p. 1613 - 1618

Downstream Synthesis Route 4

• 939-99-1
• 79707-11-2

• 96428-25-0

Reference: [1]Organic and Biomolecular Chemistry,2019,vol. 17,p. 3403 - 3408
[2]Journal of the American Chemical Society,1982,vol. 104,p. 4680 - 4682

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