1-(4-(Hydroxy(oxido)amino)phenyl)-2-(4-isothiocyanatophenyl)diazene

Base Information

• Chemical Name: 1-(4-(Hydroxy(oxido)amino)phenyl)-2-(4-isothiocyanatophenyl)diazene
• CAS No.: 24722-66-5
• Molecular Formula: C13H8 N4 O2 S
• Molecular Weight: 284.2932
• NSC Number: 137466
• UNII: 2N84D48Y8W
• DSSTox Substance ID: DTXSID901038649
• Nikkaji Number: J3.497.479I
• Mol file: 24722-66-5.mol

Synonyms:24722-66-5;NSC137466;NSC 137466;1-(4-(Hydroxy(oxido)amino)phenyl)-2-(4-isothiocyanatophenyl)diazene;NSC-137466;Diazene, 1-(4-isothiocyanatophenyl)-2-(4-nitrophenyl)-;(4-isothiocyanatophenyl)-(4-nitrophenyl)diazene;4-nitro-4'-isothiocyanatoazobenzene;2N84D48Y8W;DTXSID901038649;4-Nitroazobenzene-4'-isothiocyanate;(E)-(4-isothiocyanatophenyl)-(4-nitrophenyl)diazene;1-(4-Isothiocyanatophenyl)-2-(4-nitrophenyl)diazene;Isothiocyanic acid, p-[(p-nitrophenyl)azo]phenyl ester;2378644-19-8

Chemical Property of 1-(4-(Hydroxy(oxido)amino)phenyl)-2-(4-isothiocyanatophenyl)diazene

Chemical Property:

• Vapor Pressure: 1.78E-09mmHg at 25°C
• Boiling Point: 495.6°Cat760mmHg
• Flash Point: 253.5°C
• Density: 1.33g/cm³
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 284.03679668
• Heavy Atom Count: 20
• Complexity: 401

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: C1=CC(=CC=C1N=C=S)N=NC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 1-(4-(Hydroxy(oxido)amino)phenyl)-2-(4-isothiocyanatophenyl)diazene

There total 2 articles about 1-(4-(Hydroxy(oxido)amino)phenyl)-2-(4-isothiocyanatophenyl)diazene 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: 48.0%

thiophosgene (463-71-8) + disperse orange 3 (730-40-5) → 4-nitroazobenzene 4'-isothiocyanate (24722-66-5)

Guidance literature:

With triethylamine; In tetrahydrofuran; for 3h; Reflux;

DOI:10.1039/c2nj40714k

Reference yield:

→ trans-4-Nitro-4'-isothiocyanato-azobenzol (24722-66-5)

Guidance literature:

4-Nitro-4'-amino-azobenzol, Gemisch v. aq. Thiophosgen, Dichloraethan-CHCl3 (1:1), Kuehlen;

Reference yield: 98.0%

bis(trichloromethyl) carbonate (32315-10-9) + 4-nitroazobenzene 4'-isothiocyanate (24722-66-5) → C14H8F4N4O3

Guidance literature:

With silver fluoride; In acetonitrile; at 20 ℃;

DOI:10.1038/s41586-019-1518-3

upstream raw materials:

thiophosgene

disperse orange 3

Downstream raw materials:

C₂₀H₁₅N₅O₄S

C₁₉H₁₅N₅O₂S

N-(4-(4-nitrophenylazo)phenyl)-N'-propylthiourea

C₂₂H₃₁N₅O₅SSi