2,4,5-Trifluoro-3-methoxybenzoyl chloride

• CAS: 112811-66-2
• Catalog Number: ACM112811662
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 224.56
• Molecular Formula: C₇H₃BrFN
• Hazard Statements: H302-H312-H332
• RIDADR: UN 2206PSN1B 6.1 / PGIII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 2,4,5-Trifluoro-3-methoxybenzoyl chloride?

The molecular formula is C8H4ClF3O2.

What is the molecular weight of 2,4,5-Trifluoro-3-methoxybenzoyl chloride?

The molecular weight is 224.56 g/mol.

What are some synonyms for 2,4,5-Trifluoro-3-methoxybenzoyl chloride?

Some synonyms include 3-methoxy-2,4,5-trifluorobenzoyl chloride and 2,4,5-trifluoro-3-methoxy-benzoyl chloride.

When was 2,4,5-Trifluoro-3-methoxybenzoyl chloride created in PubChem?

It was created on 2005-07-19.

What is the InChIKey for 2,4,5-Trifluoro-3-methoxybenzoyl chloride?

The InChIKey is JVQSZTJTWSUJCR-UHFFFAOYSA-N.

What is the Canonical SMILES representation of 2,4,5-Trifluoro-3-methoxybenzoyl chloride?

The Canonical SMILES is COC1=C(C(=CC(=C1F)F)C(=O)Cl)F.

How many hydrogen bond acceptors does 2,4,5-Trifluoro-3-methoxybenzoyl chloride have?

It has 5 hydrogen bond acceptors.

What is the topological polar surface area of 2,4,5-Trifluoro-3-methoxybenzoyl chloride?

The topological polar surface area is 26.3 ².

Is 2,4,5-Trifluoro-3-methoxybenzoyl chloride a canonicalized compound?

Yes, it is a canonicalized compound.

How many defined bond stereocenters does 2,4,5-Trifluoro-3-methoxybenzoyl chloride have?

It has 0 defined bond stereocenters.

Synthetic Use

Upstream Synthesis Route 1

• 112811-65-1

• 112811-66-2

Reference: [1]Chinese Chemical Letters,2013,vol. 24,p. 673 - 676

Downstream Synthesis Route 1

• 112811-66-2

• 112811-71-9

Reference: [1] European Journal of Medicinal Chemistry, 2006, vol. 41, # 12, p. 1478 - 1493

Downstream Synthesis Route 2

• 112811-66-2

• 112811-72-0

Reference: [1] Patent: US4980470, 1990, A,

Downstream Synthesis Route 3

• 1071-46-1
• 112811-66-2

• 112811-68-4

Reference: [1]Sanchez, Joseph P.; Gogliotti, Rocco D.; Domagala, John M.; Gracheck, Stephen J.; Huband, Michael D.; et al.
[Journal of Medicinal Chemistry, 1995, vol. 38, # 22, p. 4478 - 4487]
[2]Wang, Qiuping; Lucien, Edlaine; Hashimoto, Akihiro; Pais, Godwin C. G.; Nelson, David M.; Song, Yongsheng; Thanassi, Jane A.; Marlor, Christopher W.; Thoma, Christy L.; Cheng, Jijun; Podos, Steven D.; Ou, Yangsi; Deshpande, Milind; Pucci, Michael J.; Buechter, Douglas D.; Bradbury, Barton J.; Wiles, Jason A.
[Journal of Medicinal Chemistry, 2007, vol. 50, # 2, p. 199 - 210]
[3]Current Patent Assignee: PROCTER & GAMBLE CO - WO2004/14893, 2004, A2
Location in patent: Page 75; 76

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