1,3-Bis(4-nitrophenyl)thiourea

Base Information

• Chemical Name: 1,3-Bis(4-nitrophenyl)thiourea
• CAS No.: 1234-28-2
• Molecular Formula: C13H10 N4 O4 S
• Molecular Weight: 318.313
• NSC Number: 24673
• DSSTox Substance ID: DTXSID30154005
• Mol file: 1234-28-2.mol

Synonyms:1,3-bis(4-nitrophenyl)thiourea;1234-28-2;Carbanilide, 4,4'-dinitrothio-;4,4'-Dinitrothiocarbanilide;Thiourea, N,N'-bis(4-nitrophenyl)-;BRN 2951750;3-12-00-01628 (Beilstein Handbook Reference);NSC24673;SCHEMBL14633632;C13H10N4O4S;N,N'-bis(p-nitrophenyl)thiourea;DTXSID30154005;N,N'-Bis(4-nitrophenyl)thiourea;NSC 24673;NSC-24673;AKOS003707532;LS-51582

Chemical Property of 1,3-Bis(4-nitrophenyl)thiourea

Chemical Property:

• Vapor Pressure: 2.89E-10mmHg at 25°C
• Boiling Point: 503.5°C at 760 mmHg
• Flash Point: 258.3°C
• Density: 1.58g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 318.04227599
• Heavy Atom Count: 22
• Complexity: 383

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Technology Process of 1,3-Bis(4-nitrophenyl)thiourea

There total 7 articles about 1,3-Bis(4-nitrophenyl)thiourea 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: 84.0%

4-nitro-aniline (100-01-6,104810-17-5) + thiourea (17356-08-0) → 1,3-bis(4-nitrophenyl)thiourea (1234-28-2)

Guidance literature:

With PEG-400; In water; for 0.0333333h; microwave irradiation;

DOI:10.1080/104265090968082

Reference yield: 80.0%

carbon disulfide (75-15-0,12122-00-8) + 4-nitro-aniline (100-01-6,104810-17-5) → 1,3-bis(4-nitrophenyl)thiourea (1234-28-2)

Guidance literature:

In water; for 7h; Irradiation;

DOI:10.1515/chem-2020-0139

Reference yield: 64.0%

p-nitrophenyl isothiocyanate (2131-61-5) → 1,3-bis(4-nitrophenyl)thiourea (1234-28-2)

Guidance literature:

With triethylamine; In water; at 90 ℃; for 5h; Reagent/catalyst; Schlenk technique; Sealed tube; Green chemistry;

DOI:10.1080/00397911.2021.2001017

upstream raw materials:

thiophosgene

4-nitro-aniline

p-nitrophenyl isothiocyanate

phenyl isothiocyanate

Downstream raw materials:

(6-nitro-benzothiazol-2-yl)-(4-nitro-phenyl)-amine

bis-N,N'-(4-nitrophenyl)urea

N,N',N''-tris-(4-nitro-phenyl)-guanidine

3-(4-nitro-phenyl)-2-(4-nitro-phenylimino)-thiazolidin-4-one