BROMANIL

Base Information

• Chemical Name: BROMANIL
• CAS No.: 488-48-2
• Molecular Formula: C6Br4O2
• Molecular Weight: 423.681
• Hs Code.: 29147000
• European Community (EC) Number: 207-679-4
• NSC Number: 36927
• DSSTox Substance ID: DTXSID20197608
• Nikkaji Number: J6.031C
• Wikidata: Q83070433
• Mol file: 488-48-2.mol

Synonyms:Quinone,tetrabromo- (4CI);p-Benzoquinone, 2,3,5,6-tetrabromo- (8CI);p-Benzoquinone,tetrabromo- (6CI,7CI);2,3,5,6-Tetrabromo-1,4-benzoquinone;2,3,5,6-Tetrabromo-p-benzoquinone;3,4,5,6-Tetrabromocyclohexadiene-1,2-dione;Bromanil;NSC 36927;Tetrabromo-1,4-benzoquinone;Tetrabromo-p-benzoquinone;Tetrabromo-p-quinone;Tetrabromobenzoquinone;Tetrabromoquinone;p-Bromanil;p-Bromoanil;

Chemical Property of BROMANIL

Chemical Property:

• Appearance/Colour: yellow crystalline powder
• Vapor Pressure: 8.54E-05mmHg at 25°C
• Melting Point: 292-294 °C(lit.)
• Refractive Index: 1.806
• Boiling Point: 340.5 °C at 760 mmHg
• Flash Point: 120 °C
• PSA: 34.14000
• Density: 3.127 g/cm³
• LogP: 3.14100
• Storage Temp.: Amber Vial, -20?C Freezer
• Solubility.: Acetone (Slightly), DMSO (Slightly)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 423.65908
• Heavy Atom Count: 12
• Complexity: 278

Purity/Quality:

98% ^*data from raw suppliers

Bromanil ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aromatic Ketones, Halogenated
• Canonical SMILES: C1(=C(C(=O)C(=C(C1=O)Br)Br)Br)Br
• Uses: A halogenated benxoquinone that is an effective inhibitor of photosynthetic electron transport through the spinach photosystem II and the cytochrome b6/f-complex.

Technology Process of BROMANIL

There total 111 articles about BROMANIL 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: 96.0%

2,3,5,6-tetrabromohydroquinone (2641-89-6) → tetrabromobenzoquinone (488-48-2)

Guidance literature:

With perchloric acid; at 25 ℃; for 0.533333h; Electrochemical reaction;

Reference yield: 95.0%

2,4,4,6-tetrabromocyclohexa-2,5-dione → tetrabromobenzoquinone (488-48-2)

Guidance literature:

With chromium(VI) oxide; acetic acid; at 50 ℃; for 1h;

DOI:10.1021/jo00134a018

Reference yield: 88.0%

hydroquinone (123-31-9,8027-02-9) → tetrabromobenzoquinone (488-48-2)

Guidance literature:

With benzyltrimethylammonium tribromide; In water; acetic acid; at 60 ℃; for 5h;

DOI:10.1246/bcsj.64.336

upstream raw materials:

2,6-dibromo-4-nitrophenol

4-nitro-phenol

4-Fluorophenol

Pentabromophenol

Downstream raw materials:

2,5-di(N-pyridinium)-1,4-benzoquinone-3,6-dioxide bisbetaine

2,3,5,6-tetrabromohydroquinone

2-bromo-1,3,4,5,6-pentaphenyl-cyclohexa-2,5-diene-1,4-diol

2,5-dibromo-3,6-diethoxy-1,4-benzoquinone

Refernces

• 1、 -. "ORGANIC COMPOUNDS, ORGANIC LIGHT EMITTING DIODE AND ORGNIC LIGHT EMITTING DISPLAY DEVICE INCLUDING THE COMPOUNDS". Paragraph 0139-0143. . Retrieved 2019/08/23.
• 2、 El-Habeeb, Abeer A.,Al-Saif, Foziah A.,Refat, Moamen S.. "Spectroscopic and thermal investigations on the charge transfer interaction between risperidone as a schizophrenia drug with some traditional π-acceptors: Part 2". . p. 464 - 477. Retrieved 2013/04/23.