3-Nitrobiphenyl

Base Information

• Chemical Name: 3-Nitrobiphenyl
• CAS No.: 2113-58-8
• Molecular Formula: C12H9NO2
• Molecular Weight: 199.209
• Hs Code.: 29042000
• European Community (EC) Number: 218-305-4
• NSC Number: 408697
• UNII: 7UA7CEP6GJ
• DSSTox Substance ID: DTXSID00175363
• Nikkaji Number: J45.866J
• Wikidata: Q63393016
• Mol file: 2113-58-8.mol

Synonyms:3-Nitrobiphenyl;2113-58-8;3-Nitro-1,1'-biphenyl;1,1'-Biphenyl, 3-nitro-;1-nitro-3-phenylbenzene;Biphenyl, 3-nitro-;M-NITROBIPHENYL;3-Nitrodiphenyl;3'-Nitrobiphenyl;7UA7CEP6GJ;EINECS 218-305-4;NSC 408697;NSC-408697;BRN 1872195;1,1'-Biphenyl,3-nitro-;m-Nitrodiphenyl;NSC408697;3-Nitrobiphenyl, 99%;UNII-7UA7CEP6GJ;NITROBIPHENYL, M-;1-nitro-3-phenyl-benzene;3-PHENYLNITROBENZENE;Cambridge id 5108021;SCHEMBL2009026;FYRPEHRWMVMHQM-UHFFFAOYSA-;DTXSID00175363;AMY25108;MFCD00007245;1,1'-Biphenyl, 3-nitro- (9CI);AKOS015833363;GS-5407;LS-44446;CS-0206916;FT-0616246;N0193;F13606;A815157;J-013871;Q63393016;F0001-0754

Chemical Property of 3-Nitrobiphenyl

Chemical Property:

• Appearance/Colour: yellow crystalline powder
• Vapor Pressure: 0.000186mmHg at 25°C
• Melting Point: 58-60 °C(lit.)
• Refractive Index: 1.605
• Boiling Point: 339 °C at 760 mmHg
• Flash Point: 161.4 °C
• PSA: 45.82000
• Density: 1.196g/cm³
• LogP: 3.78500
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 199.063328530
• Heavy Atom Count: 15
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

3-Nitrobiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3-Nitrobiphenyl

There total 187 articles about 3-Nitrobiphenyl 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: 21.0%

phenyl-azo-triphenylmethane (65864-86-0) + nitrobenzene (98-95-3,26969-40-4) → 2-nitrobiphenyl (86-00-0) + 3-nitro-1,1'-biphenyl (2113-58-8) + 1-phenyl-4-nitrobenzene (92-93-3)

Guidance literature:

With ammonium cerium(IV) nitrate; In acetonitrile; benzene; for 12h; Yields of byproduct given; Ambient temperature;

DOI:10.1246/bcsj.68.1707

Reference yield: 16.9%

nitrobenzene (98-95-3,26969-40-4) + N-sulphinylphenylhydrazine (17420-03-0) → 2-nitrobiphenyl (86-00-0) + 3-nitro-1,1'-biphenyl (2113-58-8) + 1-phenyl-4-nitrobenzene (92-93-3) + diphenyldisulfane (882-33-7)

Guidance literature:

at 135 ℃; for 72h; Further byproducts given;

Reference yield: 16.9%

nitrobenzene (98-95-3,26969-40-4) + N-sulphinylphenylhydrazine (17420-03-0) → S-Phenyl benzenethiosulfonate (1212-08-4) + 2-nitrobiphenyl (86-00-0) + 3-nitro-1,1'-biphenyl (2113-58-8) + 1-phenyl-4-nitrobenzene (92-93-3)

Guidance literature:

at 135 ℃; for 72h; Further byproducts given;

upstream raw materials:

4-amino-3-nitrobiphenyl

1-(3-nitrophenyl)-3,3-dimethyltriazene

toluene-4-sulfonic acid

benzene

Downstream raw materials:

biphenyl

3-nitrobenzoic acid

3'-nitrobiphenyl-4-sulfonyl chloride

3-methylbiphenyl

Refernces

• 1、 Dai, Chengyi,Li, Xinmin,Zhang, Anfeng,Liu, Chun,Song, Chunshan,Guo, Xinwen. "Pd and Pd-CuO nanoparticles in hollow silicalite-1 single crystals for enhancing selectivity and activity for the Suzuki-Miyaura reaction". . p. 40297 - 40302. Retrieved 2015.
• 2、 Said, Khemais,Mesni, Ali,Salem, Ridha B.. "Antioxidant properties of synthesis nanometallic Pd-Ni?2-mercaptoethanol as effective catalyst for suzuki-miyaura reactions". . p. 36 - 45. Retrieved 2020.
• 3、 Puthiaraj, Pillaiyar,Ahn, Wha-Seung. "Highly active palladium nanoparticles immobilized on NH2-MIL-125 as efficient and recyclable catalysts for Suzuki-Miyaura cross coupling reaction". . p. 91 - 95. Retrieved 2015.
• 4、 Wu, Shang,Zhang, Ying,Jiang, Hongyan,Wu, Lan,Ding, Ning,Jiang, Pengwei,Zhang, Hong,Zhao, Lianbiao,Yin, Fenping,Yang, Quanlu. "Anchoring Pd(OAc)2 on amide-bonded covalent organic frameworks: An efficient heterogeneous Pd@OC-MA catalyst for Suzuki-Miyaura coupling reactions in water". . . Retrieved 2020.
• 5、 Veisi, Hojat,Masti, Ramin,Kordestani, Davood,Safaei, Maryam,Sahin, Onur. "Functionalization of fullerene (C60) with metformine to immobilized palladium as a novel heterogeneous and reusable nanocatalyst in the Suzuki-Miyaura coupling reaction at room temperature". . p. 61 - 67. Retrieved 2014.
• 6、 Wang, Jian-Cheng,Liu, Cong-Xue,Kan, Xuan,Wu, Xiao-Wei,Kan, Jing-Lan,Dong, Yu-Bin. "Pd@COF-QA: A phase transfer composite catalyst for aqueous Suzuki-Miyaura coupling reaction". . p. 1150 - 1155. Retrieved 2020.
• 7、 Veisi, Hojat,Amini Manesh, Abbas,Eivazi, Neda,Faraji, Ali Reza. "Palladium nanoparticles supported on 1,3-dicyclohexylguanidine functionalized mesoporous silica SBA-15 as highly active and reusable catalyst for the Suzuki-Miyaura cross-coupling reaction". . p. 20098 - 20107. Retrieved 2015.
• 8、 Billing,Norman. "". . p. 3885. Retrieved 1961.
• 9、 Kamari, Younes,Ghiaci, Mehran. "Incorporation of TiO2 coating on a palladium heterogeneous nanocatalyst. A new method to improve reusability of a catalyst". . p. 16 - 20. Retrieved 2016.
• 10、 Yan, Jie,Hu, Weixiao,Rao, Guowu. "A novel and efficient coupling reaction of sodium tetraphenylborate with hypervalent iodonium salts". . p. 943 - 945. Retrieved 2006.