2,6-Dichloro-4-((trifluoromethyl)thio)aniline

Base Information

• Chemical Name: 2,6-Dichloro-4-((trifluoromethyl)thio)aniline
• CAS No.: 99479-65-9
• Molecular Formula: C7H4Cl2F3NS
• Molecular Weight: 262.083
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID30543899
• Wikidata: Q82420862
• Mol file: 99479-65-9.mol

Synonyms:99479-65-9;2,6-Dichloro-4-((trifluoromethyl)thio)aniline;2,6-dichloro-4-(trifluoromethylthio)aniline;2,6-dichloro-4-(trifluoromethylsulfanyl)aniline;2,6-Dichloro-4-trifluoromethylsulfanyl-phenylamine;SCHEMBL2000463;DTXSID30543899;JDWPTDLYCZOZOJ-UHFFFAOYSA-N;MFCD04972800;SB82011;CS-0329964;2,6-dichloro-4-(trifluoromethylthio)-aniline;2,6-dichloro-4-[(trifluoromethyl)sulfanyl]aniline

Chemical Property of 2,6-Dichloro-4-((trifluoromethyl)thio)aniline

Chemical Property:

• Vapor Pressure: 0.133mmHg at 25°C
• Refractive Index: 1.567
• Boiling Point: 217.4 °C at 760 mmHg
• Flash Point: 85.3 °C
• PSA: 51.32000
• Density: 1.61 g/cm³
• LogP: 4.76870
• Storage Temp.: 2-8°C
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 260.9393602
• Heavy Atom Count: 14
• Complexity: 190

Purity/Quality:

98%min ^*data from raw suppliers

2,6-Dichloro-4-(trifluoromethylsulfanyl)aniline 95% ^*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=C(C=C(C(=C1Cl)N)Cl)SC(F)(F)F

Technology Process of 2,6-Dichloro-4-((trifluoromethyl)thio)aniline

There total 3 articles about 2,6-Dichloro-4-((trifluoromethyl)thio)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: 96.0%

thioorthocarbonotrifluoridic acid 4-amino-phenyl ester (372-16-7) → 2,6-dichloro-4-trifluoromethylthio-aniline (99479-65-9)

Guidance literature:

With [bmim]BF₄; trichloroisocyanuric acid; water; at 20 ℃; for 0.0833333h;

DOI:10.1016/j.jfluchem.2007.02.018

Reference yield:

p-nitrophenyl trifluoromethyl sulfide (403-66-7) → 2,6-dichloro-4-trifluoromethylthio-aniline (99479-65-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 98 percent / iron; hydrochloric acid / H₂O / 1 h / 90 °C

2: 96 percent / trichloroisocyanuric acid; [Bmim]BF₄; H₂O / 0.08 h / 20 °C

With hydrogenchloride; [bmim]BF₄; trichloroisocyanuric acid; water; iron; In water;

DOI:10.1016/j.jfluchem.2007.02.018

Reference yield:

di(p-nitrophenyl) disulfide (100-32-3) → 2,6-dichloro-4-trifluoromethylthio-aniline (99479-65-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 68 percent / Na₂HPO₄; HOCH₂SO₂Na / dimethylformamide; H₂O / 2.5 h / 20 °C / 9000.9 Torr

2: 98 percent / iron; hydrochloric acid / H₂O / 1 h / 90 °C

3: 96 percent / trichloroisocyanuric acid; [Bmim]BF₄; H₂O / 0.08 h / 20 °C

With hydrogenchloride; disodium hydrogenphosphate; [bmim]BF₄; trichloroisocyanuric acid; water; rongalite; iron; In water; N,N-dimethyl-formamide;

DOI:10.1016/j.jfluchem.2007.02.018

upstream raw materials:

thioorthocarbonotrifluoridic acid 4-amino-phenyl ester

p-nitrophenyl trifluoromethyl sulfide

di(p-nitrophenyl) disulfide

Downstream raw materials:

10-chloro-N-{2,6-dichloro-4-[(trifluoromethyl)thio]phenyl}pyrido[4,3-c]-1,6-naphthyridin-6-amine

N-{2,6-dichloro-4-[(trifluoromethyl)thio]phenyl}-10-ethoxypyrido[4,3-c]-1,6-naphthyridin-6-amine

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