4-Chloro-2-fluorobenzenesulfonyl chloride

• CAS: 141337-26-0
• Catalog Number: ACM141337260
• Category: Aryl Fluorinated Building Blocks
• Molecular Weight: 229.06
• Molecular Formula: C₆H₃Cl₂FO₂S
• Synonyms: 141337-26-0, 4-Chloro-2-fluorobenzenesulfonyl chloride, 4-chloro-2-fluorobenzenesulphonyl chloride, 4-Chloro-2-fluorobenzene-1-sulfonyl chloride, PubChem8447, ACMC-1BYLY, 4-chloro-2-fluoro-benzenesulfonyl Chloride, AC1MCU84, 555983_ALDRICH, CTK0H3698, MolPort-000-152-948, ANW-73481, PC9617, SBB097383, AKOS000117045, AG-D-82362, chloro(4-chloro-2-fluorophenyl)sulfone, AK-59255, KB-72267, 4-chloro-2-fluorobenzene sulfonyl chloride
• IUPAC Name: 4-chloro-2-fluorobenzenesulfonyl chloride
• Canonical SMILES: C1=CC(=C(C=C1Cl)F)S(=O)(=O)Cl
• InChI Key: ZFZRENUEJCOCRE-UHFFFAOYSA-N
• Boiling Point: 245.7ºC at 760mmHg
• Melting Point: 34-38ºC(lit.)
• Flash Point: 102.4ºC
• Density: 2.096g/cm³
• Exact Mass: 227.92100
• Hazard Statements: H314
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Packing Group: II
• RIDADR: UN 3265 8 / PGII
• Safety Description: S26-S36/37/39-S45
• Symbol: GHS05
• WGK Germany: 3

Custom Q&A

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

The molecular formula of 4-Chloro-2-fluorobenzenesulfonyl chloride is C6H3Cl2FO2S.

When was 4-Chloro-2-fluorobenzenesulfonyl chloride created and last modified?

4-Chloro-2-fluorobenzenesulfonyl chloride was created on 2005-07-19 and last modified on 2023-12-23.

What are some synonyms of 4-Chloro-2-fluorobenzenesulfonyl chloride?

Some synonyms of 4-Chloro-2-fluorobenzenesulfonyl chloride include 4-Chloro-2-fluorobenzene-1-sulfonyl chloride and Benzenesulfonyl chloride.

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

The computed molecular weight of 4-Chloro-2-fluorobenzenesulfonyl chloride is 229.06 g/mol.

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

The InChIKey of 4-Chloro-2-fluorobenzenesulfonyl chloride is ZFZRENUEJCOCRE-UHFFFAOYSA-N.

How many hydrogen bond acceptors does 4-Chloro-2-fluorobenzenesulfonyl chloride have?

4-Chloro-2-fluorobenzenesulfonyl chloride has 3 hydrogen bond acceptors.

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

The topological polar surface area of 4-Chloro-2-fluorobenzenesulfonyl chloride is 42.5 Ų.

Is 4-Chloro-2-fluorobenzenesulfonyl chloride a canonicalized compound?

Yes, 4-Chloro-2-fluorobenzenesulfonyl chloride is a canonicalized compound.

How many rotatable bonds does 4-Chloro-2-fluorobenzenesulfonyl chloride have?

4-Chloro-2-fluorobenzenesulfonyl chloride has 1 rotatable bond.

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

The complexity value of 4-Chloro-2-fluorobenzenesulfonyl chloride is 249.

Synthetic Use

Upstream Synthesis Route 1

• 57946-56-2

• 141337-26-0

Reference: [1] Patent: US2003/232859, 2003, A1, . Location in patent: Page 56

Upstream Synthesis Route 2

• 57946-56-2

• 141337-26-0

Reference: [1] Patent: US5387709, 1995, A,

Downstream Synthesis Route 1

• 141337-26-0
• 62-53-3

• 907587-60-4

Reference: [1]Bioorganic and Medicinal Chemistry,2006,vol. 14,p. 5562 - 5577

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