2,4-Dichloro-3,5-dimethylphenol

Base Information

• Chemical Name: 2,4-Dichloro-3,5-dimethylphenol
• CAS No.: 133-53-9
• Molecular Formula: C8H8Cl2O
• Molecular Weight: 191.057
• Hs Code.: 2908.10
• European Community (EC) Number: 205-109-9,682-356-2
• NSC Number: 120320,9774
• UNII: 51AC49OLT7
• DSSTox Substance ID: DTXSID0041359
• Nikkaji Number: J5.587E
• Wikidata: Q27260885
• NCI Thesaurus Code: C77048
• ChEMBL ID: CHEMBL2104302
• Mol file: 133-53-9.mol

Synonyms:dichloroxylenol

Chemical Property of 2,4-Dichloro-3,5-dimethylphenol

Chemical Property:

• Appearance/Colour: light beige powder
• Vapor Pressure: 0.00526mmHg at 25°C
• Melting Point: 89 °C
• Refractive Index: 1.573
• Boiling Point: 266.4 °C at 760 mmHg
• PKA: 8.30±0.28(Predicted)
• Flash Point: 114.5 °C
• PSA: 20.23000
• Density: 1.323 g/cm³
• LogP: 3.31580
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 189.9952203
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

99% ^*data from raw suppliers

2,4-Dichloro-3,5-dimethylphenol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Uses -> Biocides/Disinfectants
• Canonical SMILES: CC1=CC(=C(C(=C1Cl)C)Cl)O
• Uses: Bacteriostat in soaps; mold inhibitor, preservative. 2,4-Dichloro-3,5-dimethylphenol is used as a preservative in aqueous functional fluids and as a microbicide in disinfectants, but in comparison with PCMX (38) is of lesser importance because it has a more intense smell and is less soluble in water.

Technology Process of 2,4-Dichloro-3,5-dimethylphenol

There total 6 articles about 2,4-Dichloro-3,5-dimethylphenol 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:

N-chloroacetamide (598-49-2) + 4-Chloro-3,5-dimethylphenol (88-04-0) → 2,4-dichloro-3,5-dimethylphenol (133-53-9)

Guidance literature:

With hydrogenchloride; acetic acid;

DOI:10.1039/jr9410000267

Reference yield:

3,5-Dimethylphenol (108-68-9,50356-23-5) → 2,4-dichloro-3,5-dimethylphenol (133-53-9)

Guidance literature:

With sulfuryl dichloride; chloroform;

Reference yield:

3,5-Dimethylphenol (108-68-9,50356-23-5) → 4-Chloro-3,5-dimethylphenol (88-04-0) + 2,4-dichloro-3,5-dimethylphenol (133-53-9)

Guidance literature:

With N-chlorotriethylammonium chloride; In trifluoroacetic acid; Yield given. Yields of byproduct given; Ambient temperature;

upstream raw materials:

N-chloroacetamide

4-Chloro-3,5-dimethylphenol

3,5-Dimethylphenol

chloroform

Downstream raw materials:

2-Aminomethyl-4,6-dichloro-3,5-dimethyl-phenol; hydrochloride

(1,3,5-Tri-tert-butyl-4-oxo-cyclohexa-2,5-dienyl)-(2,4-dichlor-3,5-dimethyl-phenyl)-ether

2-bromo-4,6-dichloro-3,5-dimethylphenol

2,4,6-trichloro-3,5-dimethyl-phenol

Refernces

• 1、 Xin, Hongchuan,Yang, Shilei,An, Baigang,An, Zengjian. "Selective water-based oxychlorination of phenol with hydrogen peroxide catalyzed by manganous sulfate". . p. 13467 - 13472. Retrieved 2017/03/11.
• 2、 -. "Method of disinfecting premises from coccidial oocysts using generated ammonia". . . Retrieved 2008/06/13.