Pentachloropyridine

Base Information

• Chemical Name: Pentachloropyridine
• CAS No.: 2176-62-7
• Molecular Formula: C5Cl5N
• Molecular Weight: 251.327
• Hs Code.: 29333999
• European Community (EC) Number: 218-535-5
• NSC Number: 26286
• UNII: 6MM852KA6T
• DSSTox Substance ID: DTXSID2022179
• Nikkaji Number: J51.335K
• Wikidata: Q27265162
• ChEMBL ID: CHEMBL1872753
• Mol file: 2176-62-7.mol

Synonyms:PENTACHLOROPYRIDINE;Perchloropyridine;2176-62-7;Pyridine, pentachloro-;2,3,4,5,6-Pentachloropyridine;Pyridine, 2,3,4,5,6-pentachloro-;6MM852KA6T;DTXSID2022179;HSDB 5867;EINECS 218-535-5;NSC 26286;NSC-26286;BRN 0155197;DTXCID102179;CAS-2176-62-7;2,3,4,5,6-Pentchloropyridine;MFCD00006230;UNII-6MM852KA6T;SCHEMBL468366;2,4,5,6-Pentachloropyridine;CHEMBL1872753;C5CL5N_100K;C5CL5N_150K;C5CL5N_200K;C5CL5N_250K;C5CL5N_300K;PENTACHLOROPYRIDINE [HSDB];Pyridine,3,4,5,6-pentachloro-;NSC26286;WLN: T6NJ BG CG DG EG FG;Tox21_201578;Tox21_300371;BBL011025;STK802167;AKOS005622686;AM84768;CS-W010210;NCGC00164060-01;NCGC00164060-02;NCGC00164060-03;NCGC00254444-01;NCGC00259127-01;AS-14843;LS-131880;FT-0634096;P1661;EN300-20077;D77706;A815655;W-107521;Q27265162

Chemical Property of Pentachloropyridine

Chemical Property:

• Appearance/Colour: white to off-white flake
• Vapor Pressure: 0.01 mm Hg ( 20 °C)
• Melting Point: 124 °C
• Refractive Index: 1.601
• Boiling Point: 282.3 °C at 760 mmHg
• PKA: -6.23±0.50(Predicted)
• Flash Point: 151.5 °C
• PSA: 12.89000
• Density: 1.764 g/cm³
• LogP: 4.34860
• Storage Temp.: Store below +30°C.
• Solubility.: 9mg/l
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 250.844387
• Heavy Atom Count: 11
• Complexity: 129

Purity/Quality:

≥95% ^*data from raw suppliers

Pentachloropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38-42/43
• Safety Statements: 22-26-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Pyridines
• Canonical SMILES: C1(=C(C(=NC(=C1Cl)Cl)Cl)Cl)Cl
• Uses: Pentachloropyridine is a halogenated pyridine with antineoplastic and antiapoptic properties.

Technology Process of Pentachloropyridine

There total 33 articles about Pentachloropyridine 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: 71.0%

tetrachlo-5-iodoropyridine (72012-23-8) → 2,3,4,6-Tetrachloropyridine (14121-36-9) + 2,3,4,5,6-pentachloropyridine (2176-62-7) + octachloro-3,3'-bipyridyl

Guidance literature:

With copper; In N,N-dimethyl-formamide; at 150 ℃;

DOI:10.1039/P19800001682

Reference yield: 71.0%

2,3,5,6-tetrachloropyridine (2402-79-1) → 2,3,4,5,6-pentachloropyridine (2176-62-7)

Guidance literature:

With sodium hydroxide; hexachloroethane; tetrabutylammomium bromide; In dichloromethane; at 55 ℃;

DOI:10.1016/j.tetlet.2004.04.177

Reference yield: 30.0%

tetrachloromethane (56-23-5) + 2,3,5,6-tetrachloropyridine (2402-79-1) → 2,3,4,5,6-pentachloropyridine (2176-62-7) + 4-dichloromethyl-2,3,5,6-tetrachloropyridine (37665-08-0) + 4-trichloromethyl-2,3,5,6-tetrachloropyridine

Guidance literature:

With tetrachloromethane; tetrabutylammomium bromide; In sodium hydroxide; at 50 ℃; for 4h;

DOI:10.1016/j.tetlet.2004.04.177

upstream raw materials:

pyridine

3-nitropyridine

2,3,5,6-tetrachloropyridine

pyridine hydrochloride

Downstream raw materials:

3,4-dichloro-2,5,6-trifluoropyridinev

2,4-dichlorotrifluoropyridine

tetrachloro-monofluoropyridine

3,5-dichloro-2,4,6-trifluoropyridine

Refernces

• 1、 Sell,Dootson. "-". . p. 979 Anm.. Retrieved 1899.
• 2、 Kuzuhara, Shunsuke,Sato, Hiroshi,Tsubouchi, Naoto,Ohtsuka, Yasuo,Kasai, Eiki. "Effect of nitrogen-containing compounds on polychlorinated dibenzo-p-dioxin/dibenzofuran formation through de novo synthesis". . p. 795 - 799. Retrieved 2007/10/03.
• 3、 Deutscher,Cathro. "Organochlorine formation in magnesium electrowinning cells". . p. 147 - 155. Retrieved 2007/10/03.