4-(CHLORODIFLUOROMETHYL)BENZOTRIFLUORIDE

Base Information

• Chemical Name: 4-(CHLORODIFLUOROMETHYL)BENZOTRIFLUORIDE
• CAS No.: 13947-94-9
• Molecular Formula: C8H4ClF5
• Molecular Weight: 230.565
• Hs Code.: 2903999090
• Mol file: 13947-94-9.mol

Synonyms:4-(Chlorodifluoromethyl)benzotrifluoride;

Chemical Property of 4-(CHLORODIFLUOROMETHYL)BENZOTRIFLUORIDE

Chemical Property:

• Vapor Pressure: 1.99mmHg at 25°C
• Refractive Index: 1.417
• Boiling Point: 170 °C at 760 mmHg
• Flash Point: 67.2 °C
• PSA: 0.00000
• Density: 1.419 g/cm³
• LogP: 3.99350
• Storage Temp.: 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

4-(Chlorodifluoromethyl)benzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(CHLORODIFLUOROMETHYL)BENZOTRIFLUORIDE

There total 7 articles about 4-(CHLORODIFLUOROMETHYL)BENZOTRIFLUORIDE 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: 65.0%

1-(Ethylsulfanyl-difluoro-methyl)-4-trifluoromethyl-benzene (160911-83-1) → 1,4-bis(trifluoromethyl)benzene (433-19-2) + 1-(chlorodifluoromethyl)-4-(trifluoromethyl)benzene (13947-94-9)

Guidance literature:

With bromine trifluoride; In trichlorofluoromethane; at 0 ℃;

DOI:10.1039/c39940002081

Reference yield: 3.3%

1,4-bis(trichloromethyl)benzene (68-36-0) → 1-(chlorodifluoromethyl)-4-(trifluoromethyl)benzene (13947-94-9) + 1,4-bis-(difluorochloromethyl)-benzene (2629-68-7) + 1-fluorodichloromethyl-4-difluorochloromethyl-benzene (13947-95-0)

Guidance literature:

With hydrogen fluoride; In 1,2-dichloro-ethane; at 45 ℃; for 10h; under 2280.15 Torr;

DOI:10.1016/j.jfluchem.2007.05.007

Reference yield:

4-trifluoromethylbenzoic acid (455-24-3) → 1-(chlorodifluoromethyl)-4-(trifluoromethyl)benzene (13947-94-9)

Guidance literature:

Multi-step reaction with 4 steps

1: 1) SO₂Cl

2: 6H₄P(S)S>2

3: BrF₃ / CCl₃F / 0 °C

4: 15 percent / BrF₃, CFCl₃ / 0 °C

With Lawessons reagent; sulfuryl dichloride; bromine trifluoride; trichlorofluoromethane; In trichlorofluoromethane;

DOI:10.1039/c39940002081

upstream raw materials:

1-(Ethylsulfanyl-difluoro-methyl)-4-trifluoromethyl-benzene

1,4-bis(trichloromethyl)benzene

4-trifluoromethylbenzoic acid

4-Trifluoromethyl-thiobenzoic acid S-ethyl ester

Downstream raw materials:

tert-Butyl[3-{4-[difluoro(4-trifluoromethylphenyl)-methoxy]phenyl}-3-ethoxypropoxy]dimethylsilane

3-(tert-Butyldimethylsilyloxy)-1-{4-[difluoro-(4-trifluoromethylphenyl)methoxy]phenyl}propan-1-ol

3-{4-[Difluoro(4-trifluoromethylphenyl)methoxy]phenyl}-3-ethoxypropionic acid

(30A) 1-Bromo-4-[difluoro(4-trifluoromethylphenyl)methoxy]benzene

Refernces

• 1、 Rozen, Shlomo,Mishani, Eyal. "A Novel Method for Converting Aromatic Acids into Trifluoromethyl Derivatives using BrF3". . p. 2081 - 2082. Retrieved 2007/10/02.