2-Chloro-5-(trifluoromethylsulfonyl)aniline

Base Information

• Chemical Name: 2-Chloro-5-(trifluoromethylsulfonyl)aniline
• CAS No.: 779-87-3
• Molecular Formula: C₇H₅ClF₃NO₂S
• Molecular Weight: 259.636
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID90366223
• Wikidata: Q82151353
• Mol file: 779-87-3.mol

Synonyms:2-chloro-5-(trifluoromethylsulfonyl)aniline;779-87-3;2-Chloro-5-((trifluoromethyl)sulfonyl)aniline;2-chloro-5-trifluoromethanesulfonylaniline;2-chloro-5-[(trifluoromethyl)sulfonyl]aniline;Enamine_005703;2-Chloro-5-(trifluoromethylsulphonyl)aniline;SCHEMBL1368162;DTXSID90366223;HMS1410D05;MFCD00182674;AKOS001023668;IDI1_007938;EN300-89179;A839305;Z56757050

Chemical Property of 2-Chloro-5-(trifluoromethylsulfonyl)aniline

Chemical Property:

• Melting Point: 95-96 °C
• Boiling Point: 340 °C at 760 mmHg
• Flash Point: 159.4 °C
• PSA: 68.54000
• Density: 1.604 g/cm³
• LogP: 3.87770
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 258.9681618
• Heavy Atom Count: 15
• Complexity: 324

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-5-((trifluoromethyl)sulfonyl)aniline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)N)Cl

Technology Process of 2-Chloro-5-(trifluoromethylsulfonyl)aniline

There total 1 articles about 2-Chloro-5-(trifluoromethylsulfonyl)aniline 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:

→ 2-chloro-5-trifluoromethanesulfonyl-aniline (779-87-3)

Guidance literature:

/BRN= 3392605/;

Reference yield:

2-chloro-5-trifluoromethanesulfonyl-aniline (779-87-3) → N2-ethyl-3-chloro-5-trifluoromethanesulfonyl-o-phenylenediamine (1549-54-8)

Guidance literature:

Multi-step reaction with 4 steps

1: aqueous sulfuric acid; aqueous sodium nitrite solution / anschliessend Behandeln mit Kupfer(I)-chlorid und wss. Salzsaeure

2: fuming sulfuric acid; nitric acid

4: SnCl₂; aqueous HCl

With hydrogenchloride; sulfuric acid; nitric acid; tin(ll) chloride; sodium nitrite;

Reference yield:

2-chloro-5-trifluoromethanesulfonyl-aniline (779-87-3) → (3,4-dichloro-phenyl)-trifluoromethyl sulfone (672-55-9)

Guidance literature:

With sulfuric acid; sodium nitrite; anschliessend Behandeln mit Kupfer(I)-chlorid und wss. Salzsaeure;

Downstream raw materials:

(3,4-dichloro-phenyl)-trifluoromethyl sulfone

N²-ethyl-3-chloro-5-trifluoromethanesulfonyl-o-phenylenediamine

(3,4-dichloro-5-nitro-phenyl)-trifluoromethyl sulfone

N-ethyl-2-chloro-6-nitro-4-trifluoromethanesulfonyl-aniline

Refernces