3-(Trifluoromethyl)benzene-1,2-diamine

Base Information

• Chemical Name: 3-(Trifluoromethyl)benzene-1,2-diamine
• CAS No.: 360-60-1
• Molecular Formula: C7H7F3N2
• Molecular Weight: 176.141
• Hs Code.: 2921420090
• European Community (EC) Number: 640-280-7
• DSSTox Substance ID: DTXSID10331256
• Wikidata: Q82096291
• Mol file: 360-60-1.mol

Synonyms:3-(trifluoromethyl)benzene-1,2-diamine;360-60-1;2,3-Diaminobenzotrifluoride;3-Trifluoromethyl-benzene-1,2-diamine;1,2-Benzenediamine, 3-(trifluoromethyl)-;diaminobenzotrifluoride;SCHEMBL476347;DTXSID10331256;2,3-Diaminobenzotrifluoride 97%;MFCD08532495;AKOS016007629;PS-8584;SB36819;2,3-Diaminobenzotrifluoride, AldrichCPR;CS-0043721;FT-0737138;S10865;J-506908

Chemical Property of 3-(Trifluoromethyl)benzene-1,2-diamine

Chemical Property:

• Melting Point: 41 °C
• Boiling Point: 125 °C(Press: 14 Torr)
• PKA: 2.94±0.10(Predicted)
• PSA: 52.04000
• Density: 1.381±0.06 g/cm3(Predicted)
• LogP: 3.03220
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 176.05613272
• Heavy Atom Count: 12
• Complexity: 157

Purity/Quality:

98% ^*data from raw suppliers

2,3-Diaminobenzotrifluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(Trifluoromethyl)benzene-1,2-diamine

There total 6 articles about 3-(Trifluoromethyl)benzene-1,2-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: 73.17%

2-nitro-3-(trifluoromethyl)aniline (386-71-0) → 3-(trifluoromethyl)benzene-1,2-diamine (360-60-1)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; for 2h;

Reference yield: 58.0%

C28H20F6N4O4 → 3-(trifluoromethyl)benzene-1,2-diamine (360-60-1) + C21H19F3N2 + 1,1'-(1,2-ethanediyl)bisbenzene (103-29-7)

Guidance literature:

With palladium on activated charcoal; hydrogen; In dichloromethane;

DOI:10.1039/c6dt00984k

Reference yield:

3-nitrophthalic acid (603-11-2) → 3-(trifluoromethyl)benzene-1,2-diamine (360-60-1)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) SF₄, (ii) NH₃

2: aq. KOH, Br₂

3: H₂ / PtO₂

With potassium hydroxide; hydrogen; bromine; platinum(IV) oxide;

upstream raw materials:

2-nitro-3-(trifluoromethyl)aniline

3-nitrophthalic acid

2-Nitro-6-trifluormethyl-benzamid

Downstream raw materials:

4-(trifluoromethyl)-1H-benzo[d]imidazole

2-methyl-4-(trifluoromethyl)-1H-benzo[d]imidazole

5-trifluoromethyl-2,3-diphenylquinoxaline

2-(4-methoxyphenyl)-5-(trifluoromethyl)-quinoxaline

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