2-Chloro-5-(trifluoromethyl)benzene-1,3-diamine

Base Information

• Chemical Name: 2-Chloro-5-(trifluoromethyl)benzene-1,3-diamine
• CAS No.: 34207-44-8
• Molecular Formula: C7H6ClF3N2
• Molecular Weight: 210.586
• Hs Code.: 2921519090
• DSSTox Substance ID: DTXSID40496564
• Wikidata: Q72518189
• Mol file: 34207-44-8.mol

Synonyms:34207-44-8;2-chloro-5-(trifluoromethyl)benzene-1,3-diamine;4-chloro-3,5-diaminobenzotrifluoride;3,5-Diamino-4-chlorobenzotrifluoride;3,5-Diamino-4-Chorobenzotrifluoride;2-Chloro-5-trifluoromethyl-benzene-1,3-diamine;2-chloro-5-trifluoromethyl-1,3-phenylenediamine;SCHEMBL3131496;DTXSID40496564;MFCD00466370;3,5-diamino-4-chloro-benzotrifluoride;AKOS003622227;AS-75787;CS-0157698;FT-0639168;EN300-89191;D94941

Chemical Property of 2-Chloro-5-(trifluoromethyl)benzene-1,3-diamine

Chemical Property:

• Vapor Pressure: 0.007mmHg at 25°C
• Melting Point: 91 °C
• Refractive Index: 1.553
• Boiling Point: 270.045 °C at 760 mmHg
• PKA: 1.72±0.10(Predicted)
• Flash Point: 117.12 °C
• PSA: 52.04000
• Density: 1.51 g/cm³
• LogP: 3.68560
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 210.0171604
• Heavy Atom Count: 13
• Complexity: 173

Purity/Quality:

97% ^*data from raw suppliers

2-CHLORO-1,3-DIAMINE-5-TRIFLUOROMETHYLBENZENE 95 ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22-33-37
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-5-(trifluoromethyl)benzene-1,3-diamine

There total 4 articles about 2-Chloro-5-(trifluoromethyl)benzene-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-3,5-dinitrobenzotrifluoride (393-75-9) → 2-chloro-5-trifluoromethyl-1,3-phenylenediamine (34207-44-8)

Guidance literature:

With tetrabutylammomium bromide; water; iron; In ethanol; at 80 - 100 ℃; Reagent/catalyst; Solvent; Temperature;

Reference yield:

4-chloro-3,5-dinitrobenzotrifluoride (393-75-9) → 2-chloro-5-trifluoromethyl-1,3-phenylenediamine (34207-44-8) + 5-(trifluoromethyl)benzene-1,3-diamine (368-53-6)

Guidance literature:

With hydrogen; Pd on carbon; palladium; In methanol; water;

Reference yield:

tin(II)chloride dihydrate + 4-chloro-3,5-dinitrobenzotrifluoride (393-75-9) → 2-chloro-5-trifluoromethyl-1,3-phenylenediamine (34207-44-8)

Guidance literature:

With sodium hydroxide; In hydrogenchloride; water;

upstream raw materials:

4-chloro-3,5-dinitrobenzotrifluoride

Downstream raw materials:

diethyl N,N'-[2-chloro-5-(trifluoromethyl)-m-phenylene] dioxamate

Acetic acid [3-(2-acetoxy-acetylamino)-2-chloro-5-trifluoromethyl-phenylcarbamoyl]-methyl ester

N,N'-[2-chloro-5-(trifluoromethyl)-m-phenylene]dioxamic acid

1-trifluoromethyl-3,4,5-trichlorobenzene