2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile

Base Information

• Chemical Name: 2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile
• CAS No.: 175136-96-6
• Molecular Formula: C13H6 Br2 N4 O
• Molecular Weight: 394.02
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID90380520
• Nikkaji Number: J2.545.448K
• Mol file: 175136-96-6.mol

Synonyms:175136-96-6;2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile;2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)propanedinitrile;Propanedinitrile, 2-(2-amino-6,8-dibromo-3-cyano-4H-1-benzopyran-4-yl)-;HMS552A09;Maybridge1_003705;SCHEMBL7652895;DTXSID90380520;VKCYCRDGBNCMSB-UHFFFAOYSA-N;AKOS015908685;FT-0608420;(6,8-Dibromo-2-amino-3-cyano-4H-1-benzopyran-4-yl)malononitrile;(2-Amino-6,8-dibromo-3-cyano-4H-1-benzopyran-4-yl)propanedinitrile

Chemical Property of 2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile

Chemical Property:

• Vapor Pressure: 3.45E-14mmHg at 25°C
• Melting Point: 300 °C
• Boiling Point: 596.4°Cat760mmHg
• PKA: 1.48±0.40(Predicted)
• Flash Point: 314.5°C
• PSA: 106.62000
• Density: 1.99g/cm³
• LogP: 3.74514
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 393.88879
• Heavy Atom Count: 20
• Complexity: 573

Purity/Quality:

98%min ^*data from raw suppliers

2-(2-AMINO-6,8-DIBROMO-3-CYANO-4H-CHROMEN-4-YL)MALONONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C2=C1C(C(=C(O2)N)C#N)C(C#N)C#N)Br)Br

Technology Process of 2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)malononitrile

There total 1 articles about 2-(2-amino-6,8-dibromo-3-cyano-4H-chromen-4-yl)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: 98.0%

3,5-Dibromosalicylaldehyde (90-59-5) + malononitrile (109-77-3) → C13H6Br2N4O (175136-96-6)

Guidance literature:

With N,N,N’,N’-tetrabromobenzene-1,3-disulfonamide; In ethanol; water; at 20 ℃; for 1.5h;

DOI:10.1590/s0103-50532011000500013

upstream raw materials:

3,5-Dibromosalicylaldehyde

malononitrile