4-Chloro-2-methylphenol

Base Information

• Chemical Name: 4-Chloro-2-methylphenol
• CAS No.: 1570-64-5
• Molecular Formula: C7H7ClO
• Molecular Weight: 142.585
• Hs Code.: 29081990
• European Community (EC) Number: 216-381-3
• ICSC Number: 1476
• NSC Number: 2851
• UN Number: 2669
• UNII: 297V63W9RI
• DSSTox Substance ID: DTXSID5022510
• Nikkaji Number: J33.994F
• Wikidata: Q27105510
• Metabolomics Workbench ID: 52870
• ChEMBL ID: CHEMBL194121
• Mol file: 1570-64-5.mol

Synonyms:2,4-MCP;4-chloro-2-cresol;4-chloro-2-cresol, potassium salt;4-chloro-2-cresol, sodium salt;4-chloro-2-methylphenol;4-chloro-o-cresol

Chemical Property of 4-Chloro-2-methylphenol

Chemical Property:

• Appearance/Colour: Off-white to slightly brownish crystalline solid
• Vapor Pressure: 0.0581mmHg at 25°C
• Melting Point: 43-46 °C(lit.)
• Refractive Index: 1.5449 (estimate)
• Boiling Point: 225.3 °C at 760 mmHg
• PKA: 9.87±0.18(Predicted)
• Flash Point: 90.1 °C
• PSA: 20.23000
• Density: 1.228 g/cm³
• LogP: 2.35400
• Storage Temp.: 0-6°C
• Water Solubility.: <0.1 g/100 mL at 15℃
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 142.0185425
• Heavy Atom Count: 9
• Complexity: 94.9
• Transport DOT Label: Poison

Purity/Quality:

98%, ^*data from raw suppliers

4-Chloro-2-methylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, C, N, Xn
• Hazard Codes: T,C,N,Xn
• Statements: 23-35-50-38-21/22
• Safety Statements: 26-36/37/39-45-61-28

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Chlorophenols
• Canonical SMILES: CC1=C(C=CC(=C1)Cl)O
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
• Effects of Short Term Exposure: The substance is corrosive to the eyes, skin and respiratory tract. Inhalation may cause lung oedema. Corrosive on ingestion.

Technology Process of 4-Chloro-2-methylphenol

There total 41 articles about 4-Chloro-2-methylphenol 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: 98.2%

ortho-cresol (95-48-7,77504-84-8) → 2-methyl-4-chlorophenol (1570-64-5)

Guidance literature:

With sulfuryl dichloride; at 25 ℃; for 5h; Large scale;

Reference yield: 95.0%

4-chloro-2-methylphenylboronic acid (209919-30-2) → 2-methyl-4-chlorophenol (1570-64-5)

Guidance literature:

With dihydrogen peroxide; In acetonitrile; at 30 - 35 ℃; for 0.166667h; Schlenk technique;

DOI:10.1016/j.tetlet.2017.07.041

Reference yield: 85.0%

4-chloro-1-iodo-2-methylbenzene (23399-70-4) → 2-methyl-4-chlorophenol (1570-64-5)

Guidance literature:

With copper(l) iodide; cesium hydroxide; butane-2,3-dione dioxime; In water; dimethyl sulfoxide; at 120 ℃; for 12h;

DOI:10.1007/s12039-017-1416-x

upstream raw materials:

2,5-dichlorotoluene

sodium methylate

6-hydroxy-toluene-3-sulfonic acid

ortho-cresol

Downstream raw materials:

4-(4-chloro-2-methyl-phenoxy)-trans-crotonic acid ethyl ester

2,6-bis-(5-chloro-2-hydroxy-3-methyl-benzyl)-3,5-dimethyl-phenol

4-chloro-2,6-bis-(5-chloro-2-hydroxy-3-methyl-benzyl)-3,5-dimethyl-phenol

4-chloro-2-methyl-6-(2-nitro-phenylsulfanyl)-phenol

Refernces

• 1、 Meunier, Laurence,Boule, Pierre. "Direct and induced phototransformation of mecoprop [2-(4-chloro-2-methylphenoxy)-propionic acid] in aqueous solution". . p. 1077 - 1085. Retrieved 2000.
• 2、 Watson. "-". . p. 2591,2592. Retrieved 1976.
• 3、 Huang, Chao,Zhu, Kaifang,Zhang, Yingying,Shao, Zhichao,Wang, Dandan,Mi, Liwei,Hou, Hongwei. "Directed Structural Transformations of Coordination Polymers Supported Single-Site Cu(II) Catalysts to Control the Site Selectivity of C-H Halogenation". supporting information. p. 12933 - 12942. Retrieved 2019/10/11.