TRIFLUOROMETHANESULFONIC ACID-D

Base Information

• Chemical Name: TRIFLUOROMETHANESULFONIC ACID-D
• CAS No.: 66178-41-4
• Molecular Formula: CHF3O3S
• Molecular Weight: 151.07
• European Community (EC) Number: 266-221-1
• DSSTox Substance ID: DTXSID301015019
• Nikkaji Number: J286.713C
• Mol file: 66178-41-4.mol

Synonyms:trifluoromethane(2h)sulfonic acid;Deuterotrifluormethansulfonic acid;trifluoromethanesulfonic acid-d1;[(2)H1]-trifluoromethanesulfonic acid;triflic acid-d1;Methanesulfonic acid-d,trifluoro;triflic acid-O-d;Trifluoromethanesulfonic acid-d;Deuterotrifluoromethanesulfonic acid;

Chemical Property of TRIFLUOROMETHANESULFONIC ACID-D

Chemical Property:

• Vapor Pressure: 1.14mmHg at 25°C
• Boiling Point: 162°Cat760mmHg
• Flash Point: °C
• PSA: 62.75000
• Density: 1.889g/cm³
• LogP: 1.47480
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 150.96612630
• Heavy Atom Count: 8
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

Trifluoromethanesulfonic acid-d 98 atom % D ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xn
• Statements: 34-22
• Safety Statements: 23-26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(F)(F)(F)S(=O)(=O)O
• Isomeric SMILES: [2H]OS(=O)(=O)C(F)(F)F
• Uses: Trifluoromethanesulfonic Acid-d, is a labeled analogue of Trifluoromethanesulfonic Acid (T790560), a strong acid that is used as a catalyst for esterification.

Technology Process of TRIFLUOROMETHANESULFONIC ACID-D

There total 7 articles about TRIFLUOROMETHANESULFONIC ACID-D which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

ferrocenium trifluoromethanesulfonate → ferrocene (102-54-5,55404-68-7) + DOTf (66178-41-4)

Guidance literature:

With [η⁵-C₅Me₅Ru(μ-SⁱPr)₂Ru(OH₂)-η⁵-C₅Me₅](OTf)₂; deuterium; In water; at 20 ℃; for 1.3h; under 760.051 Torr; Schlenk technique;

DOI:10.1021/acs.organomet.7b00764

Reference yield:

trifluoromethylsulfonic anhydride (358-23-6) → DOTf (66178-41-4)

Guidance literature:

With water-d2; at 100 ℃;

DOI:10.1021/jo00334a048

Reference yield:

Zr6O4(OH)4(1,3,5-tris(4-carboxyphenyl)benzene)2(OTf)6 → DOTf (66178-41-4)

Guidance literature:

With [D₃]phosphoric acid; In dimethylsulfoxide-d6;

DOI:10.1021/jacs.1c03561

upstream raw materials:

trifluoromethylsulfonic anhydride

tertiary butyl chloride

benzene-d6

silver trifluoromethanesulfonate

Downstream raw materials:

rhenium(III)(oxo)(chloride)bis(2-butyne)

propene

rhenium(III)(oxo)(hydride)bis(2-butyne)

trans-platinum(triethylphosphine)₂(chloro)₂

Refernces

• 1、 Feng, Xuanyu,Song, Yang,Lin, Wenbin. "Dimensional Reduction of Lewis Acidic Metal-Organic Frameworks for Multicomponent Reactions". supporting information. p. 8184 - 8192. Retrieved 2021/06/27.
• 2、 Dang, Tuan Thanh,Boeck, Florian,Hintermann, Lukas. "Hidden Bronsted acid catalysis: Pathways of accidental or deliberate generation of triflic acid from metal triflates". experimental part. p. 9353 - 9361. Retrieved 2012/01/04.