3-NITROBENZOYL ISOTHIOCYANATE

Base Information

• Chemical Name: 3-NITROBENZOYL ISOTHIOCYANATE
• CAS No.: 78225-78-2
• Molecular Formula: C8H4 N2 O3 S
• Molecular Weight: 208.197
• Hs Code.: 2930909090
• Mol file: 78225-78-2.mol

Synonyms:3-Nitrobenzoylisothiocyanate; m-Nitrobenzoyl isothiocyanate

Chemical Property of 3-NITROBENZOYL ISOTHIOCYANATE

Chemical Property:

• Vapor Pressure: 6E-05mmHg at 25°C
• Melting Point: 93 °C
• Boiling Point: 345.8°C at 760 mmHg
• Flash Point: 162.9°C
• PSA: 107.34000
• Density: 1.39g/cm³
• LogP: 2.36100

Purity/Quality:

98%min ^*data from raw suppliers

3-Nitrobenzoyl isothiocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-NITROBENZOYL ISOTHIOCYANATE

There total 8 articles about 3-NITROBENZOYL 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: 90.0%

potassium thioacyanate (333-20-0) + 3-nitrobenzoic acid (121-92-6) → 3-nitro-benzoyl isothiocyanate (78225-78-2)

Guidance literature:

3-nitrobenzoic acid; With trichloroisocyanuric acid; triphenylphosphine; In toluene; at 0 ℃; for 0.25h;

potassium thioacyanate; In toluene; at 0 - 20 ℃; for 0.25h;

DOI:10.5562/cca2381

Reference yield: 83.0%

ammonium thiocyanate (1147550-11-5) + 3-nitrobenzoic acid (121-92-6) → 3-nitro-benzoyl isothiocyanate (78225-78-2)

Guidance literature:

3-nitrobenzoic acid; With pyridine; 1,3,5-trichloro-2,4,6-triazine; In acetonitrile; at 20 ℃;

ammonium thiocyanate; In acetonitrile; at 20 ℃; for 1h;

DOI:10.2174/1570178615666180330155606

Reference yield:

ammonium thiocyanate (1147550-11-5) + m-nitrobenzoic acid chloride (121-90-4) → 3-nitro-benzoyl isothiocyanate (78225-78-2)

Guidance literature:

With acetone; benzene;

upstream raw materials:

ammonium thiocyanate

m-nitrobenzoic acid chloride

lead(II) thiocyanate

potassium thioacyanate

Downstream raw materials:

N'-(3-nitro-benzoyl)-N,N-diphenyl-thiourea

C₂₇H₂₆ClN₃O₅S

C₂₂H₁₇ClN₄O₅S

N-(m-nitro-benzoylthiourea)-α-naphthalen-acetylhydrazine

Refernces

• 1、 Fayomi, Omotola M.,Adeniyi, Adebayo A.,Sha’Ato. "Analysis of the structural, spectroscopic, and molecular electrostatic potential (MESP) of (amino)carbonothionyl (nitro)benzamide derivatives". . p. 690 - 701. Retrieved 2021/05/11.
• 2、 Abreu, Lethícia O.,Bispo, Marcelle L. F.,Brito, Tiago O.,Gomes, Karen M.,Louren?o, Maria C. S.,Macedo, Fernando,Pereira, Patricia M. L.,Tisher, Cesar A.,Yamada-Ogatta, Sueli F.,de Fátima, ?ngelo. "Benzoylthioureas: Design, synthesis and antimycobacterial evaluation". . p. 93 - 103. Retrieved 2020/02/04.