2,4,5-Trichloroanisole

Base Information

• Chemical Name: 2,4,5-Trichloroanisole
• CAS No.: 6130-75-2
• Molecular Formula: C7H5 Cl3 O
• Molecular Weight: 211.475
• Hs Code.: 2909309090
• European Community (EC) Number: 228-099-8
• NSC Number: 49588
• UNII: 7A45S4076Z
• DSSTox Substance ID: DTXSID5064120
• Nikkaji Number: J227.309H
• Wikidata: Q27266803
• Mol file: 6130-75-2.mol

Synonyms:1,2,4-Trichloro-5-methoxybenzene;6130-75-2;2,4,5-TRICHLOROANISOLE;Anisole, 2,4,5-trichloro-;Benzene, 1,2,4-trichloro-5-methoxy-;UNII-7A45S4076Z;EINECS 228-099-8;1,2,4-trichloro-5-methoxy-benzene;NSC 49588;NSC-49588;7A45S4076Z;AI3-09172;2,5-Trichloroanisole;Anisole,4,5-trichloro-;Maybridge1_004818;SCHEMBL3757554;DTXSID5064120;HMS555C22;Benzene,2,4-trichloro-5-methoxy-;NSC49588;TRICHLOROANISOLE, 2,4,5-;CCG-54151;MFCD00129716;1,2,4-Trichloro-5-methoxybenzene #;AKOS008336756;BS-22658;KM 07229;CS-0210974;A868748;2,4,5-Trichloroanisole 10 microg/mL in Isooctane;SR-01000643268-1;Q27266803

Chemical Property of 2,4,5-Trichloroanisole

Chemical Property:

• Vapor Pressure: 0.0243mmHg at 25°C
• Melting Point: 77.5°C
• Refractive Index: 1.5510 (estimate)
• Boiling Point: 256.7°C at 760 mmHg
• Flash Point: 101.9°C
• PSA: 9.23000
• Density: 1.416g/cm³
• LogP: 3.65540
• Storage Temp.: 2-8°C
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 209.940598
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

97% ^*data from raw suppliers

1,2,4-Trichloro-5-methoxybenzene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4,5-Trichloroanisole

There total 13 articles about 2,4,5-Trichloroanisole 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: 66.0%

1,2,4,5-tetrachlorobenzene (95-94-3) + sodium methylate (124-41-4) → 2,4,5-trichloroanisole (6130-75-2)

Guidance literature:

In N,N,N,N,N,N-hexamethylphosphoric triamide; at 120 ℃; for 1h;

DOI:10.1016/S0040-4020(01)97647-1

Reference yield:

1,2,4,5-tetrachlorobenzene (95-94-3) → 2,4,5-trichloroanisole (6130-75-2) + 2,4,5-trichlorophenol (95-95-4)

Guidance literature:

With sodium methylate; at 180 ℃; im Rohr;

Reference yield:

2,4,5-trichlorophenol (95-95-4) + dimethyl sulfate (77-78-1) → 2,4,5-trichloroanisole (6130-75-2)

Guidance literature:

With potassium hydroxide;

DOI:10.1007/BF01532295 DOI:10.1039/jr9430000235

upstream raw materials:

1,2,4,5-tetrachlorobenzene

sodium methylate

2,5-dichloroanisole

acetic acid

Downstream raw materials:

2,4-dichloro-5-methoxyphenol

2,4,5-trichlorophenol

trans-(η5-C5Me5)Re(CO)2(2-methyoxy-4,5-dichlorophenyl)chloride

chloromethyl-(2,4,5-trichloro-phenyl)-ether

Refernces

• 1、 Bolton, Roger,Moore, Clive,Sandall, John P.B.. "Nucleophilic Displacement in Polyhalogenoaromatic Compounds. Part 11. Kinetics of Protiodeiodination of Iodoarenes in Dimethyl Sulphoxide-Methanol". . p. 1593 - 1598. Retrieved 2007/10/02.