Aluminum trifluoromethanesulfonate

• CAS: 74974-61-1
• Catalog Number: ACM74974611-1
• Category: Organic Aluminium
• Molecular Weight: 474.2
• Molecular Formula: C3AlF9O9S3
• Synonyms: Aluminum triflate
• IUPAC Name: aluminum;trifluoromethanesulfonate
• Canonical SMILES: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Al+3]
• InChI: InChI=1S/3CHF3O3S.Al/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;+3/p-3
• InChI Key: FKOASGGZYSYPBI-UHFFFAOYSA-K
• Melting Point: 300 °C
• Appearance: Powder
• Application: Friedel-Crafts Reactions.; ; Aluminum trifluoromethanesulfonate has been used for the Friedel-Crafts alkylation reaction of toluene with isopropyl and tert-butyl chlorides (eq 1), and for theacylationofbenzeneandtoluenewithacetylandbenzoylchlo- rides in low to moderate yields. Intramolecular Friedel-Crafts acylation of an aromatic compound with Meldrum's acid has also been reported using catalytic amounts of Al(OTf) 3 . Acylation of 2-methoxynaphthalene with acetic anhydride has been reported using Al(OTf) 3 and lithium perchlorate as an additive to afford the corresponding 6-acetylated adduct in 83% yield. Effective acylation of arenes with carboxylic acids has also been disclosed using polystyrene-supported Al(OTf)3.
• Complexity: 145
• Covalently-Bonded Unit Count: 4
• Defined Atom Stereocenter Count: 0
• Exact Mass: 473.837612
• H-Bond Acceptor: 18
• Heavy Atom Count: 25
• Hydrogen Bond Acceptor Count: 18
• Hydrogen Bond Donor Count: 0
• Monoisotopic Mass: 473.837612
• Rotatable Bond Count: 0
• Topological Polar Surface Area: 197 Ų

Custom Q&A

What is the molecular formula of Aluminum trifluoromethanesulfonate?

The molecular formula of Aluminum trifluoromethanesulfonate is C3AlF9O9S3.

What is the molecular weight of Aluminum trifluoromethanesulfonate?

The molecular weight of Aluminum trifluoromethanesulfonate is 474.2 g/mol.

What are some synonyms for Aluminum trifluoromethanesulfonate?

Some synonyms for Aluminum trifluoromethanesulfonate are ALUMINIUM TRIFLATE, ALUMINUM TRIS(TRIFLUOROMETHANESULFONATE), and Aluminium trifluoromethanesulphonate.

What is the IUPAC name of Aluminum trifluoromethanesulfonate?

The IUPAC name of Aluminum trifluoromethanesulfonate is aluminum;trifluoromethanesulfonate.

What is the Canonical SMILES notation for Aluminum trifluoromethanesulfonate?

The Canonical SMILES notation for Aluminum trifluoromethanesulfonate is C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Al+3].

What is the InChIKey of Aluminum trifluoromethanesulfonate?

The InChIKey of Aluminum trifluoromethanesulfonate is FKOASGGZYSYPBI-UHFFFAOYSA-K.

What is the CAS number for Aluminum trifluoromethanesulfonate?

The CAS number for Aluminum trifluoromethanesulfonate is 74974-61-1.

How many hydrogen bond acceptor counts does Aluminum trifluoromethanesulfonate have?

Aluminum trifluoromethanesulfonate has 18 hydrogen bond acceptor counts.

What is the topological polar surface area of Aluminum trifluoromethanesulfonate?

The topological polar surface area of Aluminum trifluoromethanesulfonate is 197?2.

Is the compound Canonicalized?

Yes, the compound is Canonicalized.