Tetrabromo-o-benzoquinone

Base Information

• Chemical Name: Tetrabromo-o-benzoquinone
• CAS No.: 2435-54-3
• Molecular Formula: C6Br4 O2
• Molecular Weight: 423.681
• Hs Code.: 2914700090
• European Community (EC) Number: 219-426-5
• NSC Number: 9002
• DSSTox Substance ID: DTXSID00179088
• Nikkaji Number: J173B
• Wikidata: Q83049612
• Mol file: 2435-54-3.mol

Synonyms:o-Bromanil;Tetrabromo-o-benzoquinone;2435-54-3;3,4,5,6-tetrabromocyclohexa-3,5-diene-1,2-dione;Tetrabromo-1,2-benzoquinone;3,4,5,6-Tetrabromo-o-benzoquinone;EINECS 219-426-5;3,5-Cyclohexadiene-1,2-dione, 3,4,5,6-tetrabromo-;NSC9002;tetrabromocyclohexa-3,5-diene-1,2-dione;Tetrabromo-1,2-benzenedione;SCHEMBL1392535;DTXSID00179088;NSC 9002;NSC-9002;3,2-dione, 3,4,5,6-tetrabromo-;AKOS024319106;3,4,5,6-Tetrabromobenzo-1,2-quinone #;3,4,5,6-TETRABROMO-(1,2)BENZOQUINONE;A936850;4-Amino-2-methyl-5-propyl-2H-pyrazole-3-carboxylicacid

Chemical Property of Tetrabromo-o-benzoquinone

Chemical Property:

• Vapor Pressure: 0.369mmHg at 25°C
• Melting Point: 148-151 °C(lit.)
• Refractive Index: 1.5000 (estimate)
• Boiling Point: 197.9°C at 760 mmHg
• Flash Point: 37.7°C
• PSA: 34.14000
• Density: 3.127g/cm³
• LogP: 3.14100
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 423.65908
• Heavy Atom Count: 12
• Complexity: 306

Purity/Quality:

98%min ^*data from raw suppliers

3,4,5,6-TETRABROMO-(1,2)BENZOQUINONE Aldrich ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1(=C(C(=O)C(=O)C(=C1Br)Br)Br)Br

Technology Process of Tetrabromo-o-benzoquinone

There total 18 articles about Tetrabromo-o-benzoquinone 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:

Tetrabromocatechol (488-47-1) → o-bromanil (2435-54-3)

Guidance literature:

With nitric acid; acetic acid;

Reference yield:

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) → o-bromanil (2435-54-3)

Guidance literature:

With bromine; acetic acid;

Reference yield:

Cu(OOC2(CBr)4)2 → o-bromanil (2435-54-3) + copper(II) oxide

Guidance literature:

With oxygen; In acetonitrile; 20°C;

DOI:10.1007/BF00956531

upstream raw materials:

3-nitrobenzene-1,2-diol

1,2-dihydroxy-4-nitrobenzene

2,3,4,5-tetrabromo-6-methoxyphenol

3,4,5,6-Tetrabromo-1,2-dimethoxybenzene

Downstream raw materials:

4,5,6,7-tetrabromo-2,2-bis-(4-chloro-phenyl)-benzo[1,3]dioxole

phosphoric acid diethyl ester-(2,3,4,5-tetrabromo-6-hydroxy-phenyl ester)

Tetrabromocatechol

bromanilic acid

Refernces