2-Nitro-4-(trifluoromethyl)phenylhydrazine

Base Information

• Chemical Name: 2-Nitro-4-(trifluoromethyl)phenylhydrazine
• CAS No.: 1513-50-4
• Molecular Formula: C7H6F3N3O2
• Molecular Weight: 221.139
• Hs Code.: 2928000090
• European Community (EC) Number: 673-345-3
• DSSTox Substance ID: DTXSID10397130
• Nikkaji Number: J1.876.329J
• Wikidata: Q82198207
• Mol file: 1513-50-4.mol

Synonyms:2-nitro-4-trifluoromethylphenylhydrazine

Chemical Property of 2-Nitro-4-(trifluoromethyl)phenylhydrazine

Chemical Property:

• Vapor Pressure: 0.00438mmHg at 25°C
• Melting Point: 112-113 °C
• Refractive Index: 1.568
• Boiling Point: 278 °C at 760 mmHg
• PKA: 2.90±0.27(Predicted)
• Flash Point: 121.9 °C
• PSA: 83.87000
• Density: 1.563 g/cm³
• LogP: 3.19570
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 221.04121093
• Heavy Atom Count: 15
• Complexity: 241

Purity/Quality:

98%min ^*data from raw suppliers

2-Nitro-4-(trifluoromethyl)phenylhydrazine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NN

Technology Process of 2-Nitro-4-(trifluoromethyl)phenylhydrazine

There total 3 articles about 2-Nitro-4-(trifluoromethyl)phenylhydrazine 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: 72.0%

2-chloro-3-nitro-5-trifluoromethylbenzene (121-17-5) → 2-nitro-4-(trifluoromethyl)phenylhydrazine (1513-50-4)

Guidance literature:

With sodium carbonate; hydrazine hydrate; In N,N-dimethyl-formamide; for 1h; Heating;

DOI:10.1039/P19800000982

Reference yield:

4-trifluoromethyl-2-nitroaniline (400-98-6) → 2-nitro-4-(trifluoromethyl)phenylhydrazine (1513-50-4)

Guidance literature:

With hydrogenchloride; cis-nitrous acid; tin(ll) chloride; Multistep reaction; 1.) water; 2.) water;

Reference yield:

→ 2-nitro-4-(trifluoromethyl)phenylhydrazine (1513-50-4)

Guidance literature:

Anilin (4a), NaNO2, HCl;

DOI:10.1021/jo00423a032

upstream raw materials:

2-chloro-3-nitro-5-trifluoromethylbenzene

4-trifluoromethyl-2-nitroaniline

Downstream raw materials:

3-[(2-Nitro-4-trifluoromethyl-phenyl)-hydrazono]-1-piperidin-1-yl-butan-1-one

5-amino-3-methylthio-1-(2-nitro-4-trifluoromethylphenyl)-1H-1,2,4-triazole

1-(4-Fluoro-phenyl)-4-{4-[(2-nitro-4-trifluoromethyl-phenyl)-hydrazono]-piperidin-1-yl}-butan-1-one

1-pivaloyl-2-<2-nitro-4-(trifluoromethyl)phenyl>hydrazinecarboxylic acid ethyl ester