2-Chloro-4-fluorobenzoyl chloride

• CAS: 21900-54-9
• Catalog Number: ACM21900549
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 193.00
• Molecular Formula: C₈H₆BrFO₂
• Hazard Statements: H301
• RIDADR: NONH for all modes of transport
• Symbol: GHS06

Custom Q&A

What is the molecular formula of 2-Chloro-4-fluorobenzoyl chloride?

The molecular formula of 2-Chloro-4-fluorobenzoyl chloride is C7H3Cl2FO.

When was the PubChem CID for 2-Chloro-4-fluorobenzoyl chloride created?

The PubChem CID for 2-Chloro-4-fluorobenzoyl chloride was created on 2005-07-19.

What is the IUPAC name of 2-Chloro-4-fluorobenzoyl chloride?

The IUPAC name of 2-Chloro-4-fluorobenzoyl chloride is 2-chloro-4-fluorobenzoyl chloride.

What is the InChIKey of 2-Chloro-4-fluorobenzoyl chloride?

The InChIKey of 2-Chloro-4-fluorobenzoyl chloride is POIAZJJVWRVLBO-UHFFFAOYSA-N.

What is the molecular weight of 2-Chloro-4-fluorobenzoyl chloride?

The molecular weight of 2-Chloro-4-fluorobenzoyl chloride is 193.00 g/mol.

How many hydrogen bond acceptor counts does 2-Chloro-4-fluorobenzoyl chloride have?

2-Chloro-4-fluorobenzoyl chloride has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of 2-Chloro-4-fluorobenzoyl chloride?

The topological polar surface area of 2-Chloro-4-fluorobenzoyl chloride is 17.1 2.

Is the compound canonicalized?

Yes, the compound is canonicalized.

How many rotatable bond counts does 2-Chloro-4-fluorobenzoyl chloride have?

2-Chloro-4-fluorobenzoyl chloride has 1 rotatable bond count.

What is the complexity value of 2-Chloro-4-fluorobenzoyl chloride?

The complexity value of 2-Chloro-4-fluorobenzoyl chloride is 163.

Synthetic Use

Upstream Synthesis Route 1

• 2252-51-9

• 21900-54-9

Reference: [1]Verbeerst,R.; Slootmaekers,R.J.
[Bulletin des Societes Chimiques Belges, 1968, vol. 77, p. 287 - 293]

Downstream Synthesis Route 1

• 67-56-1
• 21900-54-9

• 85953-29-3

Reference: [1] Journal of Medicinal Chemistry, 2018, vol. 61, # 19, p. 8670 - 8692

Downstream Synthesis Route 2

• 39658-41-8
• 21900-54-9

• 201686-69-3

Reference: [1]Bioorganic and Medicinal Chemistry Letters,1999,vol. 9,p. 1737 - 1740

Downstream Synthesis Route 3

• 21900-54-9
• 71-43-2

• 69943-47-1

Reference: [1]Gabbutt, Christopher D.; Heron, B. Mark; Instone, Alicia C.
[Tetrahedron, 2006, vol. 62, # 4, p. 737 - 745]
[2]Location in patent: experimental part
Mahdi, Jasia; Ankati, Haribabu; Gregory, Jill; Tenner, Brian; Biehl, Edward R.
[Tetrahedron Letters, 2011, vol. 52, # 20, p. 2594 - 2596]

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