2,3,4,5-Tetrachloroanisole

Base Information

• Chemical Name: 2,3,4,5-Tetrachloroanisole
• CAS No.: 938-86-3
• Molecular Formula: C7H4 Cl4 O
• Molecular Weight: 245.92
• Hs Code.: 2909309090
• European Community (EC) Number: 213-349-0
• UNII: 8C2BM6P34L
• DSSTox Substance ID: DTXSID90239660
• Nikkaji Number: J131.498J
• Wikidata: Q83122064
• Mol file: 938-86-3.mol

Synonyms:2,3,4,5-TETRACHLOROANISOLE;938-86-3;1,2,3,4-Tetrachloro-5-methoxybenzene;Anisole, 2,3,4,5-tetrachloro-;Benzene, 1,2,3,4-tetrachloro-5-methoxy-;EINECS 213-349-0;8C2BM6P34L;tetrachloroanisole;UNII-8C2BM6P34L;SCHEMBL914797;DTXSID90239660;1,2,3,4-Tetrachloro-5-methoxy-benzene;1,2,3,4-Tetrachloro-5-methoxybenzene #;FT-0633156;E84088;2,3,4,5-Tetrachloroanisole 10 microg/mL in Isooctane

Chemical Property of 2,3,4,5-Tetrachloroanisole

Chemical Property:

• Vapor Pressure: 0.0029mmHg at 25°C
• Melting Point: 83-85 °C(lit.)
• Refractive Index: 1.5133 (estimate)
• Boiling Point: 294.2°Cat760mmHg
• Flash Point: 117.6°C
• PSA: 9.23000
• Density: 1.525g/cm³
• LogP: 4.30880
• Water Solubility.: 1.35mg/L(25 oC)
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 245.898675
• Heavy Atom Count: 12
• Complexity: 154

Purity/Quality:

NLT 98% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C(=C1Cl)Cl)Cl)Cl

Technology Process of 2,3,4,5-Tetrachloroanisole

There total 6 articles about 2,3,4,5-Tetrachloroanisole 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: 76.0%

methanol (67-56-1) + 2-carboxy-3,4,5,6-tetrachlorobenzendiazonium chloride → 2,3,4,5-tetrachlorobenzoic acid (50-74-8) + 2,3,4,5-tetrachlorophenol anisole (938-86-3)

Guidance literature:

for 0.5h; Ambient temperature;

DOI:10.1016/0040-4020(95)00115-O

Reference yield: 67.0%

methanol (67-56-1) + 1-(2'carboxytetrachlorophenyl)-3,3-dimethyl triazene → 2,3,4,5-tetrachlorophenol anisole (938-86-3)

Guidance literature:

In various solvent(s); for 4h; Heating;

DOI:10.1016/0040-4020(95)00115-O

Reference yield: 63.0%

methanol (67-56-1) + 2-carboxy-3,4,5,6-tetrachlorobenzenediazonium fluoroborate → 2,3,4,5-tetrachlorobenzoic acid (50-74-8) + 2,3,4,5-tetrachlorophenol anisole (938-86-3)

Guidance literature:

DOI:10.1016/0040-4020(95)00115-O

upstream raw materials:

pentachlorobenzene

sodium methylate

2,3,4,5-Tetrachlorofluorobenzene

methanol