Pentachloroaniline

Base Information

• Chemical Name: Pentachloroaniline
• CAS No.: 527-20-8
• Molecular Formula: C6H2Cl5N
• Molecular Weight: 265.354
• Hs Code.: 29214200
• European Community (EC) Number: 208-410-3
• NSC Number: 49579
• UNII: UW5QVL647I
• DSSTox Substance ID: DTXSID4037584
• Nikkaji Number: J1.583K
• Wikidata: Q27291304
• ChEMBL ID: CHEMBL1904605
• Mol file: 527-20-8.mol

Synonyms:2,3,4,5,6-pentachloroaniline;pentachloroaniline

Chemical Property of Pentachloroaniline

Chemical Property:

• Appearance/Colour: Needles from alcohol.
• Vapor Pressure: 0.000117mmHg at 25°C
• Melting Point: 232 °C
• Refractive Index: 1.645
• Boiling Point: 335.8 °C at 760 mmHg
• PKA: -2.04±0.10(Predicted)
• Flash Point: 156.9 °C
• PSA: 26.02000
• Density: 1.751 g/cm³
• LogP: 5.11700
• Storage Temp.: 0-6°C
• Sensitive.: Air & Light Sensitive
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 264.860037
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

Pentachloroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T,N
• Statements: 20/21/22-36/37/38-23/24/25-33-50/53
• Safety Statements: 26-36/37/39-45-22-36/37-61-60-28

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aromatic
• Canonical SMILES: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)N

Technology Process of Pentachloroaniline

There total 9 articles about Pentachloroaniline 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: 99.0%

Quintozene (82-68-8) → 2,3,4,5,6-pentachloroaniline (527-20-8)

Guidance literature:

With C₃₆H₅₆Cl₃CrN₂O; magnesium; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In tetrahydrofuran; at 60 ℃; for 24h; chemoselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1021/jacs.0c12318

Reference yield: 75.0%

→ 2,3,4,5,6-pentachloroaniline (527-20-8)

Guidance literature:

Reference yield:

hexachlorobenzene (118-74-1,67471-27-6) → 2,3,4,5,6-pentachloroaniline (527-20-8)

Guidance literature:

With ammonia; water;

DOI:10.1021/jo01118a040

upstream raw materials:

hexachlorobenzene

Quintozene

diethyl ether

3,5-Dichloroaniline

Downstream raw materials:

pentachlorophenyl-carbonimidic acid dichloride

pentachlorobenzenesulfonyl pentachloroanilide

2-Pentachlorophenylamino-benzoic acid

pentachloronitrosobenzene