2-Nitrophenyl phenyl sulfide

Base Information

• Chemical Name: 2-Nitrophenyl phenyl sulfide
• CAS No.: 4171-83-9
• Molecular Formula: C12H9NO2S
• Molecular Weight: 231.275
• Hs Code.: 2930909090
• NSC Number: 633005,408025
• DSSTox Substance ID: DTXSID10324941
• Nikkaji Number: J123.502H
• Wikidata: Q72494673
• Mol file: 4171-83-9.mol

Synonyms:4171-83-9;2-Nitrodiphenyl sulfide;2-Nitrophenyl phenyl sulfide;1-nitro-2-phenylsulfanylbenzene;(2-nitrophenyl)(phenyl)sulfane;1-nitro-2-(phenylsulfanyl)benzene;1-Nitro-2-(phenylthio)benzene;Benzene, 1-nitro-2-(phenylthio)-;Sulfide, o-nitrophenyl phenyl;1-nitro-2-phenylsulfanyl-benzene;NSC633005;NSC 408025;2-Nitro diphenyl sulfide;2-Nitrodiphenylsulfide;o-Nitrophenyl phenyl sulfide;2NO2Ph-S-Ph;2-Nitrodiphenyl thioether;SCHEMBL1713219;SCHEMBL16372671;(2-nitro-phenyl)-phenyl sulfide;DTXSID10324941;2-Nitrophenyl phenyl sulfide, 97%;MFCD00100508;NSC408025;AKOS005067529;NSC-408025;NSC-633005;Hydroxy(2-(phenylthio)phenyl)azane oxide;AC-11155;AS-59383;FT-0613155;N0744;D91770;EN300-7414759;A825635;J-510179;Z31211142

Chemical Property of 2-Nitrophenyl phenyl sulfide

Chemical Property:

• Appearance/Colour: Pale yellow crystal
• Vapor Pressure: 0.000141mmHg at 25°C
• Melting Point: 78-82 °C(lit.)
• Refractive Index: 1.665
• Boiling Point: 343.3 °C at 760 mmHg
• Flash Point: 161.4 °C
• PSA: 71.12000
• Density: 1.31 g/cm³
• LogP: 4.26920
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Sparingly), Methanol (Slightly)
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 231.03539970
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

98% ^*data from raw suppliers

2-Nitrophenyl Phenyl Sulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-]
• Uses: 2-Nitrophenyl Phenyl Sulfide is used in the study of non-nucleoside reverse transcriptase inhibitors of HIV-1.

Technology Process of 2-Nitrophenyl phenyl sulfide

There total 87 articles about 2-Nitrophenyl phenyl sulfide 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: 100.0%

1-(2-nitrophenylsulfonyl)-1H-pyrrole-2-carboxaldehyde (54254-38-5) + thiophenol (108-98-5) → 2-pyrrole aldehyde (1003-29-8,254729-95-8) + 2-nitrophenyl phenyl sulfide (4171-83-9)

Guidance literature:

With triethylamine; In acetonitrile; for 0.5h; Inert atmosphere;

DOI:10.1039/C6OB01441K

Reference yield: 99.9%

thiophenol (108-98-5) + 2-Chloronitrobenzene (88-73-3) → 2-nitrophenyl phenyl sulfide (4171-83-9)

Guidance literature:

With potassium hydroxide; In water; N,N-dimethyl-formamide; 1.) between -3 and +2 deg C, 40 min, 2.) 80 deg C, 1 h;

DOI:10.1002/hlca.19800630610

Reference yield: 99.5%

thiophenol (108-98-5) + ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → 2-nitrophenyl phenyl sulfide (4171-83-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 2h;

DOI:10.1016/j.bmc.2013.05.040

upstream raw materials:

ethanol

2-nitrophenyl bromide

sodium thiophenolate

thiophenol

Refernces

• 1、 Hommelsheim, Renè,Nú?ez Ponce, Heliana Michaela,Truong, Khai-Nghi,Rissanen, Kari,Bolm, Carsten. "2-Sulfoximidoyl acetic acids from multicomponent petasis reactions and their use as building blocks in syntheses of sulfoximine benzodiazepine analogues". supporting information. p. 3415 - 3420. Retrieved 2021/05/04.
• 2、 Asadpour, Mohammad,Azizzade, Meysam,Ghasemi, Mehran,Jafarpour, Farnaz,Rajai-Daryasarei, Saideh. "An Iodide-Mediated Transition-Metal-Free Strategy towards Unsymmetrical Diaryl Sulfides via Arylhydrazines and Thiols". supporting information. p. 727 - 734. Retrieved 2020/02/25.