2-Chloro-4-(trifluoromethyl)aniline

Base Information

• Chemical Name: 2-Chloro-4-(trifluoromethyl)aniline
• CAS No.: 39885-50-2
• Molecular Formula: C7H5ClF3N
• Molecular Weight: 195.572
• Hs Code.: 29039990
• European Community (EC) Number: 254-674-8
• UNII: D67KX3WQ3Z
• DSSTox Substance ID: DTXSID30192922
• Nikkaji Number: J153.392D
• Wikidata: Q72434332
• Mol file: 39885-50-2.mol

Synonyms:2-chloro-4-trifluoromethylaniline;Cl-TFMA

Chemical Property of 2-Chloro-4-(trifluoromethyl)aniline

Chemical Property:

• Appearance/Colour: clear light yellow to yellow liquid after melting
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: n20/D 1.5030(lit.)
• Boiling Point: 198.1 °C at 760 mmHg
• PKA: 0.82±0.10(Predicted)
• Flash Point: 73.6 °C
• PSA: 26.02000
• Density: 1.425 g/cm³
• LogP: 3.52220
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 195.0062613
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

4-Amino-3-chlorobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xi,Xn,N,T
• Statements: 36/37/38-20/21/22-50-24-20/22
• Safety Statements: 26-36-36/37/39-23-61-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)N

Technology Process of 2-Chloro-4-(trifluoromethyl)aniline

There total 10 articles about 2-Chloro-4-(trifluoromethyl)aniline 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: 100.0%

2-chloro-4-trifluoromethylphenyl hydrazine (86398-98-3) → 2-chloro-4-(trifluoromethyl)aniline (39885-50-2)

Guidance literature:

Reference yield: 98.0%

4-trifluoromethylphenylamine (455-14-1) → 2,6-dichloro-4-(trifluoromethyl)aniline (24279-39-8) + 2-chloro-4-(trifluoromethyl)aniline (39885-50-2)

Guidance literature:

With chlorine; In chlorobenzene; at 110 ℃; for 6.5h;

Reference yield: 84.0%

1,2-dichloro-4-(trifluoromethyl)benzene (328-84-7) → 2-chloro-4-(trifluoromethyl)aniline (39885-50-2)

Guidance literature:

With potassium fluoride; ammonia; In dimethylsulfone; at 30 - 235 ℃; for 6h; Product distribution / selectivity; Autoclave;

upstream raw materials:

4-trifluoromethylphenylamine

Bromotrifluoromethane

4-chloro-aniline

o-chloroaniline

Downstream raw materials:

5-methyl-oxazolidine-3-carboxylic acid (2-chloro-4-trifluoromethyl-phenylcarbamoyl)-amide

3-chloro-4-nitrobenzotrifluoride

3-chloro-4-fluoro benzotrifluoride

6-(2-Chloro-4-trifluoromethyl-phenylamino)-3-methyl-1H-pyrimidine-2,4-dione