(o-Tolylazo)malononitrile

Base Information

• Chemical Name: (o-Tolylazo)malononitrile
• CAS No.: 5456-90-6
• Molecular Formula: C10H8N4
• Molecular Weight: 184.1973
• NSC Number: 21676
• Mol file: 5456-90-6.mol

Synonyms:(o-Tolylazo)malononitrile;2-Tolyl-azo-malonitril [German];2-Tolyl-azo-malonitril;F 2202;MALONONITRILE, (o-TOLYLAZO)-;NSC 21676;Propanedinitrile, ((2-methylphenyl)azo)-;5456-90-6;SCHEMBL19019373;NSC21676;NSC-21676;LS-89011

Chemical Property of (o-Tolylazo)malononitrile

Chemical Property:

• Vapor Pressure: 0.00207mmHg at 25°C
• Boiling Point: 290.4°Cat760mmHg
• Flash Point: 129.4°C
• Density: 1.1g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 184.074896272
• Heavy Atom Count: 14
• Complexity: 287

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1N=NC(C#N)C#N

Technology Process of (o-Tolylazo)malononitrile

There total 1 articles about (o-Tolylazo)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: 80.0%

o-toluidine (95-53-4) + malononitrile (109-77-3) → C10H8N4 (5456-90-6)

Guidance literature:

o-toluidine; With hydrogenchloride; sodium nitrite; In water; at 0 - 5 ℃;

malononitrile; With sodium acetate; In ethanol; water; at 0 - 5 ℃; for 1.5h; pH=3 - 4;

DOI:10.1007/s10593-010-0494-1

Reference yield: 75.0%

C10H8N4 (5456-90-6) + 5-hyrazino-3,4-diphenyl-7H-pyrazolo-<3,4-c>-pyridazine (128462-44-2) → C27H22N10 (1239368-84-3)

Guidance literature:

With hydrogenchloride; In ethanol; water; for 10h; Reflux;

DOI:10.1007/s10593-010-0494-1

Reference yield:

C10H8N4 (5456-90-6) → 4-(2-methylphenylazo)-3,5-diacetamido-1H-pyrazole (1309877-28-8)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrazine hydrate

2: Heating

With hydrazine hydrate;

DOI:10.1016/j.molstruc.2011.02.009

upstream raw materials:

o-toluidine

malononitrile

Downstream raw materials:

4-(2-methylphenylazo)-3,5-diacetamido-1H-pyrazole

4-(o-methylphenylazo)-3,5-diamino-1H-pyrazole

C₂₇H₂₂N₁₀