4-(Trifluoromethyl)benzene-1-sulfonyl chloride

• CAS: 2991-42-6
• Catalog Number: ACM2991426
• Category: Other Products
• Molecular Weight: 244.62
• Molecular Formula: C₇H₄ClF₃O₂S
• Synonyms: P-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE;4-(TRIFLUOROMETHYL)BENZENESULPHONYL CHLORIDE;4-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE;4-(TRIFLUOROMETHYL)BENZENE-1-SULFONYL CHLORIDE;ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE-4-SULFONYL CHLORIDE;BUTTPARK 52\11-36;4-(Trifluoromethyl)benzenesulphonyl chloride 98%;4-(Trifluoromethyl)benzenesulphonylchloride98%
• Boiling Point: 76°C
• Melting Point: 30-34°C(lit.)
• Flash Point: 220°F
• Hazard Statements: C
• Safety Description: 22-26-36/37/39-45-2636/37/3945
• Supplemental Hazard Statements: H318-H314
• Symbol: GHS05

Custom Q&A

What is the molecular formula of 4-(Trifluoromethyl)benzene-1-sulfonyl chloride?

The molecular formula of 4-(Trifluoromethyl)benzene-1-sulfonyl chloride is C7H4ClF3O2S.

What is the molecular weight of 4-(Trifluoromethyl)benzene-1-sulfonyl chloride?

The molecular weight of 4-(Trifluoromethyl)benzene-1-sulfonyl chloride is 244.62 g/mol.

What is the IUPAC name of 4-(Trifluoromethyl)benzene-1-sulfonyl chloride?

The IUPAC name of 4-(Trifluoromethyl)benzene-1-sulfonyl chloride is 4-(trifluoromethyl)benzenesulfonyl chloride.

What is the Canonical SMILES representation of 4-(Trifluoromethyl)benzene-1-sulfonyl chloride?

The Canonical SMILES representation of 4-(Trifluoromethyl)benzene-1-sulfonyl chloride is C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)Cl.

What is the InChIKey of 4-(Trifluoromethyl)benzene-1-sulfonyl chloride?

The InChIKey of 4-(Trifluoromethyl)benzene-1-sulfonyl chloride is OZDCZHDOIBUGAJ-UHFFFAOYSA-N.

What is the CAS number of 4-(Trifluoromethyl)benzene-1-sulfonyl chloride?

The CAS number of 4-(Trifluoromethyl)benzene-1-sulfonyl chloride is 2991-42-6.

How many hydrogen bond acceptors are there in the molecule?

There are 5 hydrogen bond acceptors in the molecule.

What is the topological polar surface area of 4-(Trifluoromethyl)benzene-1-sulfonyl chloride?

The topological polar surface area of 4-(Trifluoromethyl)benzene-1-sulfonyl chloride is 42.5 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the complexity value of 4-(Trifluoromethyl)benzene-1-sulfonyl chloride?

The complexity value of 4-(Trifluoromethyl)benzene-1-sulfonyl chloride is 285.

Synthetic Use

Upstream Synthesis Route 1

• 825-83-2

• 2991-42-6

Reference: [1] Green Chemistry, 2014, vol. 16, # 6, p. 3125 - 3131
[2] Tetrahedron Letters, 2010, vol. 51, # 2, p. 418 - 421

Upstream Synthesis Route 2

• 108789-37-3

• 2991-42-6

Reference: [1] Tetrahedron Letters, 2010, vol. 51, # 2, p. 418 - 421

Upstream Synthesis Route 3

• 128796-39-4

• 2991-42-6

Reference: [1] Journal of the American Chemical Society, 2013, vol. 135, # 29, p. 10638 - 10641

Downstream Synthesis Route 1

• 2991-42-6

• 830-43-3

Reference: [1]ChemMedChem,2015,vol. 10,p. 461 - 469

Downstream Synthesis Route 2

• 2991-42-6
• 121148-00-3

• 121148-20-7

Reference: [1]Bioorganic and Medicinal Chemistry,2002,vol. 10,p. 1399 - 1415

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