2-(2-[3,5-Bis(trifluoromethyl)phenyl]hydrazono)malononitrile

Base Information

• Chemical Name: 2-(2-[3,5-Bis(trifluoromethyl)phenyl]hydrazono)malononitrile
• CAS No.: 138555-70-1
• Molecular Formula: C11H4F6N4
• Molecular Weight: 306.17
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID00381821
• Mol file: 138555-70-1.mol

Synonyms:138555-70-1;2-(2-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]HYDRAZONO)MALONONITRILE;2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile;2-{2-[3,5-di(trifluoromethyl)phenyl]hydrazono}malononitrile;(3,5-Bis(trifluoromethyl)phenyl)carbonohydrazonoyl dicyanide;[3,5-Bis(trifluoromethyl)phenyl]carbonohydrazonoyl dicyanide;2-(2-[3,5-Di(trifluoromethyl)phenyl]hydrazono)malononitrile;2-{2-[3,5-Bis(trifluoromethyl)phenyl]hydrazono}malononitrile;Maybridge1_007913;SCHEMBL8745992;HMS563P15;DTXSID00381821;2-{2-[3,5-di-(Trifluoromethyl)phenyl]hydrazono}malononitrile;FT-0610899

Chemical Property of 2-(2-[3,5-Bis(trifluoromethyl)phenyl]hydrazono)malononitrile

Chemical Property:

• Vapor Pressure: 0.0074mmHg at 25°C
• Melting Point: 138-140
• Refractive Index: 1.485
• Boiling Point: 269.1°C at 760 mmHg
• Flash Point: 116.5°C
• PSA: 71.97000
• Density: 1.44g/cm³
• LogP: 3.61226
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 306.03401512
• Heavy Atom Count: 21
• Complexity: 462

Purity/Quality:

98%min ^*data from raw suppliers

2-(2-[3,5-DI(TRIFLUOROMETHYL)PHENYL]HYDRAZONO)MALONONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)NN=C(C#N)C#N)C(F)(F)F

Technology Process of 2-(2-[3,5-Bis(trifluoromethyl)phenyl]hydrazono)malononitrile

There total 2 articles about 2-(2-[3,5-Bis(trifluoromethyl)phenyl]hydrazono)malononitrile 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: 70.0%

3,5-Bis-(trifluoromethyl)aniline (328-74-5) + malononitrile (109-77-3) → N-(3,5-bis(trifluoromethyl)phenyl)carbohydrazonoyl dicyanide (138555-70-1)

Guidance literature:

3,5-Bis-(trifluoromethyl)aniline; With hydrogenchloride; sodium nitrite; In water; for 1.5h; Cooling with ice;

malononitrile; With sodium acetate; In water; at 0 ℃; for 2h;

DOI:10.1039/d0ra03124k

Reference yield:

3,5-Bis-(trifluoromethyl)aniline (328-74-5) → N-(3,5-bis(trifluoromethyl)phenyl)carbohydrazonoyl dicyanide (138555-70-1)

Guidance literature:

Reference yield:

Nonanoyl chloride (764-85-2) + N-(3,5-bis(trifluoromethyl)phenyl)carbohydrazonoyl dicyanide (138555-70-1) → N-Nonanoyl-dicyanocarbonyl-3,5-bistrifluoromethylphenylhydrazon (28233-12-7)

Guidance literature:

Multistep reaction; (i) KOH, MeOH, (ii) /BRN= 1362621/;

upstream raw materials:

3,5-Bis-(trifluoromethyl)aniline

malononitrile

Downstream raw materials:

N-Nonanoyl-dicyanocarbonyl-3,5-bistrifluoromethylphenylhydrazon

N-3-Methylcrotonoyl-dicyanocarbonyl-3,5-bistrifluoromethylphenylhydrazon

N-Carbo-pentoxy-(dicyanocarbonyl-3,5-bistrifluoromethylphenylhydrazon)

N-Carbo-hexoxy-(dicyanocarbonyl-3,5-bistrifluoromethylphenylhydrazon)