3-Chloro-5-(trifluoromethyl)aniline

Base Information

• Chemical Name: 3-Chloro-5-(trifluoromethyl)aniline
• CAS No.: 69411-05-8
• Molecular Formula: C7H5ClF3N
• Molecular Weight: 195.572
• Hs Code.: 29214300
• European Community (EC) Number: 273-989-1
• DSSTox Substance ID: DTXSID50989250
• Nikkaji Number: J153.396G
• Wikidata: Q72434325
• Mol file: 69411-05-8.mol

Synonyms:69411-05-8;3-chloro-5-trifluoromethylaniline;3-Amino-5-chlorobenzotrifluoride;3-Chloro-5-(trifluoromethyl)aniline;3-Amino-5-chlorobenzotrifloride;EINECS 273-989-1;MFCD02684210;Benzenamine, 3-chloro-5-(trifluoromethyl)-;5-amino-3chlorobenzotrifluoride;SCHEMBL1012745;5-amino-3chloro-benzotrifluoride;DTXSID50989250;5-amino-3-chloro-benzotrifluoride;3-Chloro-5-trifluoromethyl-aniline;CL8424;AKOS006343925;CS-W015716;AC-11534;AS-18505;3-amino-5-chlorobenzotrifluoride, AldrichCPR;AM20041022;FT-0615001;EN300-133139;W-104624

Chemical Property of 3-Chloro-5-(trifluoromethyl)aniline

Chemical Property:

• Appearance/Colour: yellow liquid
• Vapor Pressure: 0.127mmHg at 25°C
• Melting Point: 79-82?°C
• Refractive Index: 1.5
• Boiling Point: 218.2 °C at 760 mmHg
• PKA: 2.32±0.10(Predicted)
• Flash Point: 85.8 °C
• PSA: 26.02000
• Density: 1.425 g/cm³
• LogP: 3.52220
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.8
• 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:

98%,99%, ^*data from raw suppliers

3-Chloro-5-trifluoromethylaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38-36-36/38
• Safety Statements: 26-36/37/39-36/37

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=C(C=C1N)Cl)C(F)(F)F

Technology Process of 3-Chloro-5-(trifluoromethyl)aniline

There total 1 articles about 3-Chloro-5-(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%

5-chloro-3-trifluoromethyl-nitrobenzene (401-93-4) → 3-chloro-5-(trifluoromethyl)phenylaniline (69411-05-8)

Guidance literature:

With tin(ll) chloride; In ethyl acetate; for 3h; Heating / reflux;

Reference yield: 96.0%

3-chloro-5-(trifluoromethyl)phenylaniline (69411-05-8) → 4-bromo-3-chloro-5-(trifluoromethyl)aniline (914225-58-4)

Guidance literature:

With N-Bromosuccinimide; In dimethyl sulfoxide; for 5.5h; under 760.051 Torr; Inert atmosphere;

Reference yield: 96.0%

3-chloro-5-(trifluoromethyl)phenylaniline (69411-05-8) + phenyl chloroformate (1885-14-9) → phenyl 3-chloro-5-(trifluoromethyl)phenylcarbamate (884340-21-0)

Guidance literature:

With pyridine; In tetrahydrofuran; at 0 - 20 ℃; for 1.58333h; Inert atmosphere;

DOI:10.1021/jm801509w

upstream raw materials:

5-chloro-3-trifluoromethyl-nitrobenzene

Downstream raw materials:

(3-Chloro-5-trifluoromethyl-phenyl)-hydrazine

C₉H₉ClF₃N₃S

1-(5-Chloro-3-trifluormethyl-anilino)-4-(4-pyridyl-methyl)-phthalazine

1-(3-Chloro-5-trifluoromethyl-phenyl)-3-(4-chloro-3-trifluoromethyl-phenyl)-urea

Refernces

• 1、 -. "Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase". . . Retrieved 2008/06/13.
• 2、 -. "Pyridazinedione compounds useful in treating neurological disorders". . . Retrieved 2008/06/13.