Nitro blue diformazan

Base Information

• Chemical Name: Nitro blue diformazan
• CAS No.: 16325-01-2
• Molecular Formula: C40H32 N10 O6
• Molecular Weight: 748.757
• European Community (EC) Number: 621-481-9
• Mol file: 16325-01-2.mol

Synonyms:nitro blue diformazan;nitroblue formazan

Chemical Property of Nitro blue diformazan

Chemical Property:

• Vapor Pressure: 1.53E-32mmHg at 25°C
• Melting Point: 257℃
• Boiling Point: 892.8°Cat760mmHg
• PKA: 8.98±0.10(Predicted)
• Flash Point: 493.7°C
• PSA: 208.32000
• Density: 1.33g/cm³
• LogP: 11.49480
• XLogP3: 10.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 13
• Exact Mass: 748.25062878
• Heavy Atom Count: 56
• Complexity: 1260

Purity/Quality:

98%,99%, ^*data from raw suppliers

NITRO BLUE TETRAZOLIUM FORMAZAN 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: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC(=NNC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)OC)N=NC(=NNC5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6
• Isomeric SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=N/C(=N/NC3=CC=C(C=C3)[N+](=O)[O-])/C4=CC=CC=C4)OC)N=N/C(=N/NC5=CC=C(C=C5)[N+](=O)[O-])/C6=CC=CC=C6

Technology Process of Nitro blue diformazan

There total 2 articles about Nitro blue diformazan 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:

benzaldehyde p-nitrophenylhydrazone (3078-09-9) → N-(3,3'-Dimethoxy-biphenyl-4-yl)-N'''-(4-nitro-phenyl)-3-phenyl-formazan + Nitroblue formazan (16325-01-2)

Guidance literature:

With tetrahydrofuran; potassium hydroxide; water;

DOI:10.1021/ja01604a051 DOI:10.1021/ja01523a070

Reference yield:

nitro blue tetrazolium (7695-60-5) → diformazan (16325-01-2)

Guidance literature:

With 1,8-dihydroxy-9(10H)-anthracenone; oxygen; rate of reduction; without O₂; addition of superoxide dismutase;

DOI:10.1002/ardp.19873200110

Reference yield:

Nitroblue formazan (16325-01-2) + isopentyl nitrite (110-46-3) → nitroblue tetrazolium chloride (67740-22-1,298-83-9,87714-63-4)

Guidance literature:

With hydrogenchloride;

DOI:10.1021/ja01604a051 DOI:10.1021/ja01523a070

upstream raw materials:

benzaldehyde p-nitrophenylhydrazone

nitro blue tetrazolium

Downstream raw materials:

nitroblue tetrazolium chloride

Refernces