2-Bromo-4-chloro-6-nitrophenol

Base Information

• Chemical Name: 2-Bromo-4-chloro-6-nitrophenol
• CAS No.: 15969-10-5
• Molecular Formula: C6H3BrClNO3
• Molecular Weight: 252.452
• Hs Code.: 2908999090
• NSC Number: 157428
• DSSTox Substance ID: DTXSID00303225
• Nikkaji Number: J444.979G
• Wikidata: Q82048391
• Mol file: 15969-10-5.mol

Synonyms:2-bromo-4-chloro-6-nitrophenol;15969-10-5;2-bromo-4-chloro-6-nitro-phenol;Phenol, 2-bromo-4-chloro-6-nitro-;2-nitro-4-chloro-6-bromophenol;NSC157428;SCHEMBL3355632;DTXSID00303225;POBOBTAMSJHELX-UHFFFAOYSA-N;Phenol,2-bromo-4-chloro-6-nitro;MFCD00024243;AKOS009106522;DS-9882;NSC-157428;CS-0108774;EN300-26580;F13392;J-508268;Z223837800

Chemical Property of 2-Bromo-4-chloro-6-nitrophenol

Chemical Property:

• Appearance/Colour: white like or light brown crystalline powder
• Vapor Pressure: 0.014mmHg at 25°C
• Melting Point: 125 °C
• Refractive Index: 1.661
• Boiling Point: 250.1 °C at 760 mmHg
• PKA: 4.57±0.38(Predicted)
• Flash Point: 105 °C
• PSA: 66.05000
• Density: 1.974 g/cm³
• LogP: 3.23950
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 250.89848
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

98%min ^*data from raw suppliers

2-Bromo-4-chloro-6-nitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-4-chloro-6-nitrophenol

There total 15 articles about 2-Bromo-4-chloro-6-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: 95.0%

2-bromo-4-chlorophenol (695-96-5) → 2-bromo-4-chloro-6-nitro-phenol (15969-10-5)

Guidance literature:

With sodium nitrate; sulfuric acid; acetic acid; In water; at 25 - 30 ℃; Large scale;

Reference yield: 95.0%

p-chloro-o-nitrophenol (89-64-5) → 2-bromo-4-chloro-6-nitro-phenol (15969-10-5)

Guidance literature:

With bromine; In water; at 20 ℃; for 0.166667h;

DOI:10.1021/acs.joc.8b00188

Reference yield:

4-chloro-phenol (106-48-9,82344-39-6) → 2-bromo-4-chloro-6-nitro-phenol (15969-10-5)

Guidance literature:

With tetrabutyl-ammonium chloride; nitric acid; potassium bromide; In dichloromethane; at 25 ℃; for 2h; Darkness;

DOI:10.1021/op030055w

upstream raw materials:

2-bromo-4-chlorophenol

p-chloro-o-nitrophenol

4-chloro-2,6-dinitrophenol

2,6-dibromo-4-chlorophenol

Downstream raw materials:

tetrabromobenzoquinone

6-amino-2-bromo-4-chloro-phenol

4-chloro-2,6-dinitrophenol

Refernces

• 1、 Ghorpade, Prashant Vasantrao,Pethsangave, Dattatray Appasha,Some, Surajit,Shankarling, Ganapati Subray. "Graphene Oxide Promoted Oxidative Bromination of Anilines and Phenols in Water". . p. 7388 - 7397. Retrieved 2018/07/29.
• 2、 -. "COMPOUNDS AND COMPOSITIONS AS RAF KINASE INHIBITORS". Paragraph 00335. . Retrieved 2016/04/20.