3-Bromo-4-nitrophenol

Base Information

• Chemical Name: 3-Bromo-4-nitrophenol
• CAS No.: 5470-65-5
• Molecular Formula: C6H4BrNO3
• Molecular Weight: 218.007
• Hs Code.: 2908999090
• NSC Number: 27960
• UNII: K3X638NTR8
• DSSTox Substance ID: DTXSID70203167
• Nikkaji Number: J801.811A
• Wikidata: Q72448655
• Mol file: 5470-65-5.mol

Synonyms:3-BROMO-4-NITROPHENOL;5470-65-5;3-Bromo-4-nitro-phenol;Phenol, 3-bromo-4-nitro-;MFCD09907826;NSC 27960;K3X638NTR8;Phenol, 3-?bromo-?4-?nitro-;NSC-27960;Phenol, 3-bromo-4-nitro- (8CI)(9CI);NSC27960;3- bromo-4-Nitrophenol;UNII-K3X638NTR8;SCHEMBL229154;DTXSID70203167;SZYVPWPBRABKAB-UHFFFAOYSA-N;AMY28376;AKOS015834612;CS-W003684;MB08147;AC-29339;DS-16760;SY021067;FT-0663813;EN300-1695553;A830334;AN-584/43409811

Chemical Property of 3-Bromo-4-nitrophenol

Chemical Property:

• Appearance/Colour: brown solid
• Vapor Pressure: 0.00042mmHg at 25°C
• Melting Point: 125-127 °C
• Refractive Index: 1.651
• Boiling Point: 306.7 °C at 760 mmHg
• PKA: 6.32±0.10(Predicted)
• Flash Point: 139.3 °C
• PSA: 66.05000
• Density: 1.881 g/cm³
• LogP: 2.58610
• Storage Temp.: Refrigerator
• Solubility.: DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 216.93746
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

99%, ^*data from raw suppliers

3-Bromo-4-nitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)Br)[N+](=O)[O-]

Technology Process of 3-Bromo-4-nitrophenol

There total 14 articles about 3-Bromo-4-nitrophenol 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: 98.0%

2-bromo-4-fluoronitrobenzene (700-36-7) → 3-bromo-4-nitrophenol (5470-65-5)

Guidance literature:

With sodium hydroxide; In water; at 95 - 105 ℃;

Reference yield: 39.0%

3-Bromophenol (591-20-8) → 5-bromo-2-nitrophenol (27684-84-0) + 3-bromo-4-nitrophenol (5470-65-5)

Guidance literature:

With sulfuric acid; sodium nitrite;

DOI:10.1016/S0040-4039(01)91381-4

Reference yield: 37.1%

3-Bromophenol (591-20-8) → 3-bromo-4-nitrophenol (5470-65-5)

Guidance literature:

With sodium nitrate; sulfuric acid; In ethanol; water; at 20 - 30 ℃; Inert atmosphere;

DOI:10.1021/ol401197n

upstream raw materials:

3-Bromophenol

m-Bromoaniline

2-nitrophenyl bromide

sulfuric acid

Downstream raw materials:

3-bromo-2,4,6-trinitro-phenol

5-bromo-2,4-dinitro-phenol

4-(benzyloxy)-2-bromo-1-nitrobenzene

1,1-dimethylethyl 4-[(3-bromo-4-nitrophenyl)oxy]-1-piperidine-carboxylate

Refernces

• 1、 -. "Synthesis method of intermediate 3-fluoro-4-nitrophenol". Paragraph 0021; 0028; 0035; 0037; 0042; 0049. . Retrieved 2018/05/16.
• 2、 -. "AMPHIPATHIC AND OTHER DOUBLE-SIDED ALPHA-HELIX MIMETICS BASED ON A 1,2-DIPHENYLACETYLENE SCAFFOLD". Page/Page column. . Retrieved 2014/09/29.