4-Hydroxy-3-nitrobiphenyl

Base Information

• Chemical Name: 4-Hydroxy-3-nitrobiphenyl
• CAS No.: 885-82-5
• Molecular Formula: C12H9 N O3
• Molecular Weight: 215.208
• Hs Code.: 2907199090
• European Community (EC) Number: 212-946-3
• NSC Number: 95810
• UNII: ARF4GZ3MF3
• DSSTox Substance ID: DTXSID30237084
• Nikkaji Number: J195.184J
• Wikidata: Q72480699
• Mol file: 885-82-5.mol

Synonyms:4-Hydroxy-3-nitrobiphenyl;885-82-5;2-Nitro-4-phenylphenol;3-Nitro-[1,1'-biphenyl]-4-ol;3-Nitrobiphenyl-4-ol;3-Nitro(1,1'-biphenyl)-4-ol;CCRIS 5769;EINECS 212-946-3;NSC 95810;ARF4GZ3MF3;3-nitro-4-hydroxybiphenyl;MFCD00014694;NSC-95810;(1,1'-Biphenyl)-4-ol, 3-nitro-;EC 212-946-3;3-Nitro[1,1'-biphenyl]-4-ol;[1,1'-Biphenyl]-4-ol, 3-nitro-;4-PHENYL-2-NITROPHENOL;NSC95810;UNII-ARF4GZ3MF3;4-Hydroxy-3-Nitrodiphenyl;3-NITRO-4-BIPHENYLOL;2-NITRO-P-PHENYLPHENOL;SCHEMBL3559913;DTXSID30237084;3-Nitro[1,1'-biphenyl]-4-ol #;AKOS009158607;BS-49186;LS-188211;CS-0186847;FT-0618649;N0560;EN300-54994;D91729;A842718;Z819948522

Chemical Property of 4-Hydroxy-3-nitrobiphenyl

Chemical Property:

• Vapor Pressure: 4.98E-05mmHg at 25°C
• Melting Point: 69-70°C
• Boiling Point: 338.5°C at 760 mmHg
• PKA: 6.97±0.14(Predicted)
• Flash Point: 145.1°C
• PSA: 66.05000
• Density: 1.304g/cm³
• LogP: 3.49060
• Water Solubility.: Insoluble in water
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 215.058243149
• Heavy Atom Count: 16
• Complexity: 245

Purity/Quality:

99.9% ^*data from raw suppliers

4-Hydroxy-3-nitrobiphenyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 4-Hydroxy-3-nitrobiphenyl

There total 15 articles about 4-Hydroxy-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: 99.0%

4-Phenylphenol (92-69-3) → 4-phenyl-2-nitrophenol (885-82-5)

Guidance literature:

With tetrachlorosilane; silica gel; sodium nitrite; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1080/10426500390228701

Reference yield: 96.0%

4-bromo-2-nitrophenol (7693-52-9) + phenylboronic acid (98-80-6) → 4-phenyl-2-nitrophenol (885-82-5)

Guidance literature:

With palladium diacetate; potassium carbonate; In water; at 80 ℃; for 1.5h; Sealed tube;

DOI:10.1002/aoc.3018

Reference yield: 94.0%

4-hydroxy-3-nitrobenzenediazonium tetrafluoroborate (1252036-52-4) + potassium phenyltrifluoborate → 4-phenyl-2-nitrophenol (885-82-5)

Guidance literature:

4-hydroxy-3-nitrobenzenediazonium tetrafluoroborate; With palladium diacetate; In methanol; for 0.166667h; Inert atmosphere;

potassium phenyltrifluoborate; In methanol; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1039/c1ob05256j

upstream raw materials:

4-Phenylphenol

biphenyl

hydrogenchloride

water

Downstream raw materials:

3-nitro-4-methoxybiphenyl

4-(5-phenyl-benzoxazol-2-yl)-aniline

2,5-diphenylbenzo[d]oxazole

Refernces

• 1、 Juárez-Ornelas, Kevin A.,Jiménez-Halla, J. Oscar C.,Kato, Terumasa,Solorio-Alvarado, César R.,Maruoka, Keiji. "Iodine(III)-Catalyzed Electrophilic Nitration of Phenols via Non-Br?nsted Acidic NO2+ Generation". supporting information. p. 1315 - 1319. Retrieved 2019/03/07.
• 2、 -. "Nitration method for aryl phenol or aryl ether derivative". Paragraph 0050-0055; 0080-0082. . Retrieved 2020/01/03.