2-Chloro-5-iodo-3-(trifluoromethyl)pyridine

Base Information

• Chemical Name: 2-Chloro-5-iodo-3-(trifluoromethyl)pyridine
• CAS No.: 887707-25-7
• Molecular Formula: C6H2ClF3IN
• Molecular Weight: 307.441
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40467658
• Wikidata: Q72452707
• Mol file: 887707-25-7.mol

Synonyms:2-chloro-5-iodo-3-(trifluoromethyl)pyridine;887707-25-7;MFCD12024302;2-Chloro-3-trifluoromethyl-5-Iodo-pyridine;2-chloro-3-trifluoromethyl-5-iodopyridine;SCHEMBL909216;DTXSID40467658;AKOS015851084;AM62436;CS-W021659;2-choro-5-iodo-3-trifluoromethylpyridine;AC-24781;AS-18596;SY023320;2-chloro-5-iodo-3-trifluoromethylpyridine;2-chloro-3-trifluoromethyl-5-(iodo)pyridine;FT-0660479

Chemical Property of 2-Chloro-5-iodo-3-(trifluoromethyl)pyridine

Chemical Property:

• Appearance/Colour: white solid
• Melting Point: 43 ºC
• Boiling Point: 261.255 °C at 760 mmHg
• PKA: -3.82±0.10(Predicted)
• Flash Point: 111.804 °C
• PSA: 12.89000
• Density: 2.047 g/cm³
• LogP: 3.35840
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Light Sensitive
• Water Solubility.: Slightly soluble in water.
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 306.88726
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

98% ^*data from raw suppliers

2-Chloro-5-iodo-3-(trifluoromethyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=C1C(F)(F)F)Cl)I
• Uses: It is used as pharmaceutical intermediate and as an advanced chemical intermediate.

Technology Process of 2-Chloro-5-iodo-3-(trifluoromethyl)pyridine

There total 3 articles about 2-Chloro-5-iodo-3-(trifluoromethyl)pyridine 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: 63.0%

2-hydroxy-3-trifluoromethyl-5-(iodo)pyridine (887707-23-5) → 2-chloro-5-iodo-3-(trifluoromethyl)pyridine (887707-25-7)

Guidance literature:

With trichlorophosphate; at 100 ℃;

Reference yield:

3-(trifluoromethyl)pyridin-2-ol (22245-83-6) → 2-chloro-5-iodo-3-(trifluoromethyl)pyridine (887707-25-7)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate; iodine / H₂O / 13 h / 20 - 50 °C

2: POCl₃ / dimethylformamide / 2.5 h / 80 °C

With iodine; potassium carbonate; trichlorophosphate; In water; N,N-dimethyl-formamide;

DOI:10.1080/00397910500516134

Reference yield:

2-chloro-3-trifluoromethyl-pyridine (65753-47-1) → 2-chloro-5-iodo-3-(trifluoromethyl)pyridine (887707-25-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 73 percent / KOH / 2-methyl-propan-2-ol / 10 h / Heating

2: potassium carbonate; iodine / H₂O / 13 h / 20 - 50 °C

3: POCl₃ / dimethylformamide / 2.5 h / 80 °C

With potassium hydroxide; iodine; potassium carbonate; trichlorophosphate; In water; N,N-dimethyl-formamide; tert-butyl alcohol;

DOI:10.1080/00397910500516134

upstream raw materials:

2-hydroxy-3-trifluoromethyl-5-(iodo)pyridine

3-(trifluoromethyl)pyridin-2-ol

2-chloro-3-trifluoromethyl-pyridine

Downstream raw materials:

C₂₇H₃₁F₄IN₂O₆

C₁₃H₉F₃IN₃O₂

C₂₁H₁₇F₃IN₃O₂

C₂₂H₁₅F₃IN₃O₂

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