4-Amino-3,5-dichlorobenzotrifluoride

Base Information

• Chemical Name: 4-Amino-3,5-dichlorobenzotrifluoride
• CAS No.: 24279-39-8
• Molecular Formula: C7H4Cl2F3N
• Molecular Weight: 230.017
• Hs Code.: 29214300
• European Community (EC) Number: 416-430-0,607-349-3
• DSSTox Substance ID: DTXSID30179011
• Nikkaji Number: J2.434.002C
• Wikidata: Q69758015
• Mol file: 24279-39-8.mol

Synonyms:2,6-Dichloro-4-(trifluoromethyl)aniline;24279-39-8;4-Amino-3,5-dichlorobenzotrifluoride;2,6-dichloro-4-trifluoromethylaniline;3,5-dichloro-4-aminobenzotrifluoride;BENZENAMINE, 2,6-DICHLORO-4-(TRIFLUOROMETHYL)-;EC 416-430-0;3,5-dichloro-4-amino benzotrifluoride;MFCD00052918;2,6-dichloro-4-trifluoro methylaniline;2,6-dichloro-4-trifluoromethyl aniline;SCHEMBL967220;2,6-DICHLORO-4-(TRIFLUOROMETHYL)-BENZENAMINE;DTXSID30179011;2,6-dichlor-4-trifluoromethyl aniline;AKOS015850198;AC-6882;AS-9317;CS-W010384;2,6-dichloro-4-trifluoromethyl-aniline;4-(trifluoromethyl)-2,6-dichloroaniline;2,6-Dichloro-4-trifluoromethylphenylamine;AM20061177;FT-0617480;2,6-Dichloro-4-(trifluoromethyl)aniline, 99%;A21508;EN300-153243;J-015431;J-514347;2,6-dichloro-4-(trifluoromethyl)benzenamine

Chemical Property of 4-Amino-3,5-dichlorobenzotrifluoride

Chemical Property:

• Appearance/Colour: light yellow low melting crystalline mass
• Vapor Pressure: 0.241mmHg at 25°C
• Melting Point: 34-36 °C(lit.)
• Refractive Index: 1.518
• Boiling Point: 206.2 °C at 760 mmHg
• PKA: -1.13±0.10(Predicted)
• Flash Point: 78.5 °C
• PSA: 26.02000
• Density: 1.542 g/cm³
• LogP: 4.17560
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: soluble in Methanol
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 228.9672890
• Heavy Atom Count: 13
• Complexity: 173

Purity/Quality:

≥98% ^*data from raw suppliers

2,6-Dichloro-4-(trifluoromethyl)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, N, T
• Hazard Codes: Xn,N,T
• Statements: 20/22-38-43-50/53
• Safety Statements: 24-37-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Cl)N)Cl)C(F)(F)F
• Uses: 2,6-Dichloro-4-(trifluoromethyl)aniline is used in the synthesis of GABA receptor antagonists and insecticides. 2,6-Dichloro-4-(trifluoromethyl)aniline may be employed for the synthesis of 1-[2,6-di-chloro-4-(tri-fluoro-methyl)-phenyl]-5-[(4-nitro-phenyl)-methyl-ene-imino]-1H-pyrazole-3-carbo-nitrile.

Technology Process of 4-Amino-3,5-dichlorobenzotrifluoride

There total 19 articles about 4-Amino-3,5-dichlorobenzotrifluoride 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: 98.0%

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: 95.3%

2-chloro-6-nitro-4-(trifluoromethyl)aniline (57729-79-0) → 2,6-dichloro-4-(trifluoromethyl)aniline (24279-39-8)

Guidance literature:

With chlorine; at 70 - 80 ℃; Temperature; Large scale;

Reference yield: 95.0%

2-chloro-4-(trifluoromethyl)aniline (39885-50-2) → 2,6-dichloro-4-(trifluoromethyl)aniline (24279-39-8)

Guidance literature:

2-chloro-4-(trifluoromethyl)aniline; With sulfuryl dichloride; In 1-methyl-pyrrolidin-2-one; chlorobenzene; at 55 - 60 ℃; for 6h;

With sodium hydroxide; In 1-methyl-pyrrolidin-2-one; water; chlorobenzene; Product distribution / selectivity;

upstream raw materials:

Langlois reagent

2,6-Dichloroaniline

2,6-dichloro-4-(trifluoromethyl)phenyl hydrazine

4-trifluoromethylphenylamine

Downstream raw materials:

(2,6-Dichloro-4-trifluoromethyl-phenyl)-(4-nitro-2,6-bis-trifluoromethyl-phenyl)-amine

5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole

1-(2,6-dichloro-4-trifluoromethylphenyl)-2,5-dimethylpyrrole

2,6-dichloro-4-(trifluoromethyl)phenyl hydrazine

Refernces

• 1、 -. "New synthesis method of 2,6-dichloro-4-trifluoromethylaniline". Paragraph 0017; 0019-0028. . Retrieved 2020/01/25.
• 2、 Monteiro, Júlia L.,Carneiro, Paula F.,Elsner, Petteri,Roberge, Dominique M.,Wuts, Peter G. M.,Kurjan, Katherine C.,Gutmann, Bernhard,Kappe, C. Oliver. "Continuous Flow Homolytic Aromatic Substitution with Electrophilic Radicals: A Fast and Scalable Protocol for Trifluoromethylation". supporting information. p. 176 - 186. Retrieved 2017/01/09.