1,2-Dichloro-4-trifluoromethansulfonylbenzene

Base Information

• Chemical Name: 1,2-Dichloro-4-trifluoromethansulfonylbenzene
• CAS No.: 672-55-9
• Molecular Formula: C7H3Cl2F3O2S
• Molecular Weight: 279.06
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID60695714
• Wikidata: Q82624977
• Mol file: 672-55-9.mol

Synonyms:672-55-9;1,2-DICHLORO-4-TRIFLUOROMETHANSULFONYLBENZENE;3,4-DICHLORO-1-(TRIFLUOROMETHYLSULFONYL)BENZENE;DTXSID60695714;MFCD04972798;1,2-Dichloro-4-(trifluoromethanesulfonyl)benzene;1,2-dichloro-4-(trifluoromethylsulfonyl)benzene

Chemical Property of 1,2-Dichloro-4-trifluoromethansulfonylbenzene

Chemical Property:

• Melting Point: 52-53 °C
• Boiling Point: 315.0±42.0 °C(Predicted)
• PSA: 42.52000
• Density: 1.627±0.06 g/cm3(Predicted)
• LogP: 4.36770
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 277.9182904
• Heavy Atom Count: 15
• Complexity: 322

Purity/Quality:

99%min ^*data from raw suppliers

1,2-DICHLORO-4-TRIFLUOROMETHANSULFONYLBENZENE 98.00% ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,2-Dichloro-4-trifluoromethansulfonylbenzene

There total 1 articles about 1,2-Dichloro-4-trifluoromethansulfonylbenzene 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) → (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;

Reference yield:

(3,4-dichloro-phenyl)-trifluoromethyl sulfone (672-55-9) → N2-ethyl-3-chloro-5-trifluoromethanesulfonyl-o-phenylenediamine (1549-54-8)

Guidance literature:

Multi-step reaction with 3 steps

1: fuming sulfuric acid; nitric acid

3: SnCl₂; aqueous HCl

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

Reference yield:

(3,4-dichloro-phenyl)-trifluoromethyl sulfone (672-55-9) → (3,4-dichloro-5-nitro-phenyl)-trifluoromethyl sulfone (650-84-0)

Guidance literature:

With sulfuric acid; nitric acid;

upstream raw materials:

2-chloro-5-trifluoromethanesulfonyl-aniline

Downstream raw materials:

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

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

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