Resorcinol, 5-methyl-2,4,6-trichloro-

Base Information

• Chemical Name: Resorcinol, 5-methyl-2,4,6-trichloro-
• CAS No.: 63992-62-1
• Molecular Formula: C7H5 Cl3 O2
• Molecular Weight: 227.475
• DSSTox Substance ID: DTXSID00213971
• Nikkaji Number: J85.007A
• Mol file: 63992-62-1.mol

Synonyms:Resorcinol, 5-methyl-2,4,6-trichloro-;63992-62-1;BRN 2524361;5-Methyl-2,4,6-trichlororesorcinol;DTXSID00213971

Chemical Property of Resorcinol, 5-methyl-2,4,6-trichloro-

Chemical Property:

• Vapor Pressure: 0.00133mmHg at 25°C
• Melting Point: 123-124 °C(Solv: benzene (71-43-2))
• Boiling Point: 288.7°Cat760mmHg
• PKA: 6.20±0.33(Predicted)
• Flash Point: 128.4°C
• PSA: 40.46000
• Density: 1.643g/cm³
• LogP: 3.36640
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 225.935512
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

5-METHYL-2,4,6-TRICHLORORESORCINOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1Cl)O)Cl)O)Cl

Technology Process of Resorcinol, 5-methyl-2,4,6-trichloro-

There total 3 articles about Resorcinol, 5-methyl-2,4,6-trichloro- 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: 92.0%

orcinol (504-15-4) → 2,4,6-trichloro-5-methyl-resorcinol (63992-62-1)

Guidance literature:

With sulfuryl dichloride; In acetic acid; for 3h; Ambient temperature;

Reference yield:

2,2,4,6,6-pentachloro-5-methyl-cyclohex-4-ene-1,3-dione (861316-89-4) → 2,4,6-trichloro-5-methyl-resorcinol (63992-62-1)

Guidance literature:

With phosphorus; hydrogen iodide;

Reference yield:

→ 2,4,6-trichloro-5-methyl-resorcinol (63992-62-1)

Guidance literature:

DOI:10.1021/jo01074a027

upstream raw materials:

orcinol

2,2,4,6,6-pentachloro-5-methyl-cyclohex-4-ene-1,3-dione

Downstream raw materials:

2,6-dichloro-3-hydroxy-5-methyl-[1,4]benzoquinone

orcinol

5-chloro-3,6-dihydroxy-2-methyl-1,4-benzoquinone

2,3,5,6-tetraacetoxy-4-chloro-toluene

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