1-(2-Nitrophenyl)-3-phenyl-2-thiourea

Base Information

• Chemical Name: 1-(2-Nitrophenyl)-3-phenyl-2-thiourea
• CAS No.: 72602-73-4
• Molecular Formula: C13H11 N3 O2 S
• Molecular Weight: 273.315
• Hs Code.: 2930909090
• European Community (EC) Number: 666-830-6
• DSSTox Substance ID: DTXSID90974241
• Wikidata: Q82958441
• Mol file: 72602-73-4.mol

Synonyms:72602-73-4;1-(2-Nitrophenyl)-3-phenyl-2-thiourea;1-(2-nitrophenyl)-3-phenylthiourea;5872-05-9;SCHEMBL5452586;DTXSID90974241;MFCD00024203;N-(2-nitrophenyl)-N'-phenylthiourea;1-(2-nitrophenyl)-3-phenyl-thiourea;AKOS002665667;FT-0641415;A837576;N-(2-Nitrophenyl)-N'-phenylcarbamimidothioic acid

Chemical Property of 1-(2-Nitrophenyl)-3-phenyl-2-thiourea

Chemical Property:

• Vapor Pressure: 3.9E-07mmHg at 25°C
• Melting Point: 142°C
• Refractive Index: 1.771
• Boiling Point: 416.2°C at 760 mmHg
• PKA: 11.87±0.70(Predicted)
• Flash Point: 205.5°C
• PSA: 101.97000
• Density: 1.441g/cm³
• LogP: 4.07290
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 273.05719778
• Heavy Atom Count: 19
• Complexity: 326

Purity/Quality:

97% ^*data from raw suppliers

1-(2-Nitrophenyl)-3-phenyl-2-thiourea ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2-Nitrophenyl)-3-phenyl-2-thiourea

There total 3 articles about 1-(2-Nitrophenyl)-3-phenyl-2-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: 99.0%

phenyl isothiocyanate (103-72-0) + 2-nitro-aniline (88-74-4) → 2-nitrophenyl(phenyl)thiourea (72602-73-4)

Guidance literature:

With [{Ph₂P(Se)NCH₂CH₂NPPh₂(Se)}Ti(NMe₂)₂]; In toluene; at 25 ℃; for 1h; Schlenk technique; Glovebox; Inert atmosphere;

DOI:10.1039/c6dt03063g

Reference yield:

o-nitrophenylisothiocyanate (2719-30-4) + aniline (62-53-3) → 2-nitrophenyl(phenyl)thiourea (72602-73-4)

Guidance literature:

With aniline hydrochloride;

Reference yield:

2-nitro-aniline (88-74-4) → 2-nitrophenyl(phenyl)thiourea (72602-73-4)

Guidance literature:

Multi-step reaction with 2 steps

2: aniline hydrochloride

With aniline hydrochloride;

upstream raw materials:

o-nitrophenylisothiocyanate

aniline

2-nitro-aniline

phenyl isothiocyanate

Downstream raw materials:

N-(2-nitro-phenyl)-N'-phenyl-guanidine

2-nitrophenyl(phenyl)carbodi-imide

N-phenyl-1,2,4-benzotriazin-3-amine 1-oxide

2-phenyl-2H-1,2,3-benzotriazole