p-Phenylazophenyl isothiocyanate

Base Information

• Chemical Name: p-Phenylazophenyl isothiocyanate
• CAS No.: 7612-96-6
• Molecular Formula: C13H9N3S
• Molecular Weight: 239.301
• Hs Code.: 2930909090
• European Community (EC) Number: 671-332-7
• DSSTox Substance ID: DTXSID40877379
• Nikkaji Number: J41.505G
• Wikidata: Q106902781
• Mol file: 7612-96-6.mol

Synonyms:4-phenylazophenylisothiocyanate;p-phenylazophenylisothiocyanate

Chemical Property of p-Phenylazophenyl isothiocyanate

Chemical Property:

• Vapor Pressure: 2.55E-06mmHg at 25°C
• Melting Point: 94 °C
• Refractive Index: 1.629
• Boiling Point: 402.4 °C at 760 mmHg
• Flash Point: 211.3 °C
• PSA: 69.17000
• Density: 1.15 g/cm³
• LogP: 4.83630
• Sensitive.: Moisture Sensitive
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 239.05171847
• Heavy Atom Count: 17
• Complexity: 296

Purity/Quality:

99% ^*data from raw suppliers

4-Phenylazophenylisothiocyanate 98% ^*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: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=C=S

Technology Process of p-Phenylazophenyl isothiocyanate

There total 8 articles about p-Phenylazophenyl isothiocyanate 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:

thiophosgene (463-71-8) + 4-phenylazoaniline hydrochloride (3457-98-5) → 1-(4-isothiocyanatophenyl)-2-phenyldiazene (7612-96-6)

Guidance literature:

With sodium hydrogencarbonate; In chloroform; for 0.5h;

DOI:10.1016/S0960-894X(01)00102-0

Reference yield:

thiophosgene (463-71-8) + aniline yellow (60-09-3) → 4-isothiocyanatoazobenzene (7612-96-6)

Guidance literature:

With tetrachloromethane;

Reference yield:

N,N-bis-(4-phenylazo-phenyl)-thiourea + acetic anhydride (108-24-7) → 4-isothiocyanatoazobenzene (7612-96-6)

Guidance literature:

upstream raw materials:

acetic anhydride

N-Phenyl-N'-(4-benzolazo-phenyl)-thioharnstoff

tetrachloromethane

thiophosgene

Downstream raw materials:

4-ethoxy-3-(4-phenylazo-phenyl)-3,4-dihydro-1H-quinazoline-2-thione

benzaldehyde-[(Z)-O-(4-phenylazo-phenylthiocarbamoyl)-oxime ]

acetophenone-[O-(4-phenylazo-phenylthiocarbamoyl)-oxime ]

5-methyl-3-(4-phenylazo-phenyl)-2-thioxo-imidazolidin-4-one

Refernces

• 1、 Wilson, Kenneth J.,Illig, Carl R.,Subasinghe, Nalin,Hoffman, James B.,Jonathan Rudolph,Soll, Richard,Molloy, Christopher J.,Bone, Roger,Green, David,Randall, Troy,Zhang, Marie,Lewandowski, Frank A.,Zhou, Zhao,Sharp, Celia,Maguire, Diane,Grasberger, Bruce,DesJarlais, Renee L.,Spurlino, John. "Synthesis of thiophene-2-carboxamidines containing 2-aminothiazoles and their biological evaluation as urokinase inhibitors". . p. 915 - 918. Retrieved 2007/10/03.