2-Chloro-4-fluorobenzenesulfonyl chloride

• CAS: 85958-57-2
• Catalog Number: ACM85958572
• Category: Phenols
• Molecular Weight: 229.06
• Molecular Formula: C₁₆H₁₈FNO
• Synonyms: 2-Chloro-4-fluorobenzenesulfonyl chloride, 85958-57-2, 2-Chloro-4-Fluorobenzene-1-Sulfonyl Chloride, 2-Chloro-4-fluorobenzenesulphonyl chloride, SBB046748, PubChem5092, AC1LAXGI, ACMC-209wex, AC1Q4LNF, AC1Q4LUX, KSC447S0P, 638919_ALDRICH, CTK3E7907, MolPort-000-146-903, WT091, ACT01227, ALBB-001012, ANW-46279, BBL017939, STK502403
• IUPAC Name: 2-chloro-4-fluorobenzenesulfonyl chloride
• Canonical SMILES: C1=CC(=C(C=C1F)Cl)S(=O)(=O)Cl
• InChI Key: FCFPJKHVCHKCMP-UHFFFAOYSA-N
• Boiling Point: 294.9ºCat 760 mmHg
• Melting Point: 28-31ºC
• Flash Point: 132.2ºC
• Density: 1.57
• Appearance: clear yellow liquid after melting
• Exact Mass: 227.92100
• Hazard Statements: H302-H315-H318-H335-H410
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Packing Group: II
• RIDADR: UN 2811 6.1 / PGIII
• Safety Description: 26-36/37/39-45
• Symbol: GHS05
• WGK Germany: 3

Custom Q&A

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

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

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

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

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

Some synonyms of 2-Chloro-4-fluorobenzenesulfonyl chloride include 85958-57-2, 2-Chloro-4-Fluorobenzene-1-Sulfonyl Chloride, and 2-Chloro-4-fluorobenzenesulphonyl chloride.

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

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

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

2-Chloro-4-fluorobenzenesulfonyl chloride has 0 hydrogen bond donor counts.

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

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

How many heavy atoms are present in the structure of 2-Chloro-4-fluorobenzenesulfonyl chloride?

There are 12 heavy atoms present in the structure of 2-Chloro-4-fluorobenzenesulfonyl chloride.

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

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

What is the XLogP3-AA value of 2-Chloro-4-fluorobenzenesulfonyl chloride?

The XLogP3-AA value of 2-Chloro-4-fluorobenzenesulfonyl chloride is 2.7.

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

2-Chloro-4-fluorobenzenesulfonyl chloride was last modified on November 25, 2023.

Synthetic Use

Upstream Synthesis Route 1

• 2106-02-7

• 85958-57-2

Reference: [1]Journal of Medicinal Chemistry,1983,vol. 26,p. 1174 - 1187

Downstream Synthesis Route 1

• 85958-57-2

• 69156-30-5

Reference: [1]Journal of Medicinal Chemistry,1983,vol. 26,p. 1174 - 1187

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