2,4,5-Trifluorobenzene-1,3-diamine

Base Information

• Chemical Name: 2,4,5-Trifluorobenzene-1,3-diamine
• CAS No.: 321182-37-0
• Molecular Formula: C₆H₅F₃N₂
• Molecular Weight: 162.114
• Hs Code.: 2921519090
• European Community (EC) Number: 678-530-2
• DSSTox Substance ID: DTXSID40573728
• Nikkaji Number: J2.644.536A
• Wikidata: Q82462540
• Mol file: 321182-37-0.mol

Synonyms:2,4,5-trifluorobenzene-1,3-diamine;321182-37-0;SCHEMBL1462129;DTXSID40573728;1,3-Diamino-2,4,5-trifluorobenzene;AKOS006278826;SB76354;2,5,6-trifluoro-1,3-phenylenediamine;AS-61806;2,4,5-tris(fluoranyl)benzene-1,3-diamine;T2060;A821137;4-(2,5-DIMETHYL-PHENYL)-4-OXO-BUTYRICACID

Chemical Property of 2,4,5-Trifluorobenzene-1,3-diamine

Chemical Property:

• Vapor Pressure: 0.0298mmHg at 25°C
• Melting Point: 74.0 to 77.0 °C
• Refractive Index: 1.564
• Boiling Point: 244.8°C at 760 mmHg
• Flash Point: 107.1°C
• PSA: 52.04000
• Density: 1.52g/cm³
• LogP: 2.43070
• Solubility.: soluble in Methanol
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 162.04048265
• Heavy Atom Count: 11
• Complexity: 144

Purity/Quality:

97% ^*data from raw suppliers

2,4,5-Trifluoro-1,3-phenylenediamine >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1F)F)N)F)N

Technology Process of 2,4,5-Trifluorobenzene-1,3-diamine

There total 10 articles about 2,4,5-Trifluorobenzene-1,3-diamine 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: 85.0%

4-chloro-2,5,6-trifluoro-1,3-phenylenediamine (359786-37-1) → 2,4,5-trifluoro-1,3-phenylenediamine (321182-37-0)

Guidance literature:

With ammonium hydroxide; zinc; for 144h;

DOI:10.1016/j.jfluchem.2004.06.006

Reference yield: 24.0%

1-chloro-2,3,4,5,6-pentafluorobenzene (344-07-0) → 2,3,5,6-tetrafluoroaniline (700-17-4) + 2,4,5-trifluoro-1,3-phenylenediamine (321182-37-0) + 4-chloro-2,5,6-trifluoro-1,3-phenylenediamine (359786-37-1)

Guidance literature:

With ammonium hydroxide; at 200 ℃; for 48h;

DOI:10.1023/A:1012492726911

Reference yield: 22.0%

Pentafluorobenzene (363-72-4) → 2,3,5,6-tetrafluoroaniline (700-17-4) + 2,4,5-trifluoro-1,3-phenylenediamine (321182-37-0)

Guidance literature:

With ammonium hydroxide; at 220 - 230 ℃; for 8h;

DOI:10.1007/s11172-007-0351-2

upstream raw materials:

1-chloro-2,3,4,5,6-pentafluorobenzene

4-chloro-2,5,6-trifluoro-1,3-phenylenediamine

Pentafluorobenzene

Hexafluorobenzene