3-Chloro-4-(trifluoromethyl)phenol

Base Information

• Chemical Name: 3-Chloro-4-(trifluoromethyl)phenol
• CAS No.: 37900-81-5
• Molecular Formula: C7H4ClF3O
• Molecular Weight: 196.556
• Hs Code.: 2908199090
• European Community (EC) Number: 896-474-9
• Mol file: 37900-81-5.mol

Synonyms:3-Chloro-4-trifluoromethylphenol;37900-81-5;3-CHLORO-4-(TRIFLUOROMETHYL)PHENOL;MFCD11849933;Phenol, 3-chloro-4-(trifluoromethyl)-;2-Chloro-4-hydroxybenzotrifluoride;SCHEMBL364003;AKOS016005958;CS-W021902;DS-2531;MB10150;SY103333;TS-02781;EN300-1928718

Chemical Property of 3-Chloro-4-(trifluoromethyl)phenol

Chemical Property:

• Vapor Pressure: 0.0442mmHg at 25°C
• Boiling Point: 230.2±35.0 °C(Predicted)
• PKA: 7.60±0.18(Predicted)
• PSA: 20.23000
• Density: 1.474±0.06 g/cm3(Predicted)
• LogP: 3.06440
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 195.9902769
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-4-(trifluoromethyl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)Cl)C(F)(F)F

Technology Process of 3-Chloro-4-(trifluoromethyl)phenol

There total 4 articles about 3-Chloro-4-(trifluoromethyl)phenol 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: 72.0%

2-chloro-4-fluoro-1-(trifluoromethyl)benzene (94444-58-3) → 2-chloro-4-hydroxybenzotrifluoride (37900-81-5)

Guidance literature:

With 2-(Trimethylsilyl)ethanol; sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 ℃; for 20h;

Reference yield: 48.0%

3-chloro-4-(trifluoromethyl)aniline (445-13-6) → 2-chloro-4-hydroxybenzotrifluoride (37900-81-5)

Guidance literature:

With sulfuric acid; water; sodium nitrite; at 0 - 110 ℃; for 3h; Heating / reflux;

Reference yield: 31.0%

(2-(3-chloro-4-(trifluoromethyl)phenoxy)ethyl)trimethylsilane (1354960-72-7) → 2-chloro-4-hydroxybenzotrifluoride (37900-81-5)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; 1,4-dioxane; at 20 ℃; for 18h; Inert atmosphere;

upstream raw materials:

3-monochlorophenol

Bromotrifluoromethane

3-chloro-4-(trifluoromethyl)aniline

2-chloro-4-fluoro-1-(trifluoromethyl)benzene

Downstream raw materials:

Methoxymethyl-carbamic acid 3-chloro-4-trifluoromethyl-phenyl ester

Ethyl-carbamic acid 3-chloro-4-trifluoromethyl-phenyl ester

5-chloro-4-(3-chloro-4-(trifluoromethyl)phenoxy)-2-fluoro-N-(methylsulfonyl)benzamide

4-{[3-chloro-4-(trifluoromethyl)phenoxy]methyl}-N-[(dimethylamino)sulfonyl]benzamide