Dibromothymoquinone

Base Information

• Chemical Name: Dibromothymoquinone
• CAS No.: 29096-93-3
• Molecular Formula: C10H10Br2O2
• Molecular Weight: 321.996
• Hs Code.: 2914700090
• European Community (EC) Number: 249-431-8
• UNII: 0BY5UFN2U6
• DSSTox Substance ID: DTXSID60183343
• Nikkaji Number: J236.445J
• Wikidata: Q17539331
• Metabolomics Workbench ID: 53696
• ChEMBL ID: CHEMBL1231418
• Mol file: 29096-93-3.mol

Synonyms:2,5 Dibromo 3 methyl 6 isopropyl p benzoquinone;2,5-Dibromo-3-methyl-6-isopropyl-p-benzoquinone;Dibromothymoquinone

Chemical Property of Dibromothymoquinone

Chemical Property:

• Vapor Pressure: 0.00037mmHg at 25°C
• Melting Point: 70-72 °C(lit.)
• Refractive Index: 1.601
• Boiling Point: 318 °C at 760 mmHg
• Flash Point: 87.7 °C
• PSA: 34.14000
• Density: 1.8 g/cm³
• LogP: 3.11210
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 321.90271
• Heavy Atom Count: 14
• Complexity: 376

Purity/Quality:

99%, ^*data from raw suppliers

2,5-Dibromo-6-isopropyl-3-methyl-1,4-benzoquinone ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)C(=C(C1=O)Br)C(C)C)Br
• Uses: 2,?5-?Dibromo-?6-?isopropyl-?3-?methyl-?1,?4-?benzoquinone acts as an inhibitor of respiratory and photosynthetic processes. Dyes and metabolites.

Technology Process of Dibromothymoquinone

There total 10 articles about Dibromothymoquinone 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:

C10H10Br2O2(1-) → dibromothymoquinone (29096-93-3)

Guidance literature:

With Tris-HCl buffer; chloroplastic ferredoxin:NADP⁽¹⁺⁾ oxidoreductase; ferredoxin; oxygen; edetate disodium; NADPH; magnesium chloride; In methanol; at 25 ℃; Mechanism; rate of oxygen uptake, other semiquinones, ferredoxin absence, pH 7.7, other pH values;

DOI:10.1016/S0031-9422(98)00540-8

Reference yield:

thymohydroquinone (2217-60-9) → dibromothymoquinone (29096-93-3)

Guidance literature:

With bromine; acetic acid;

Reference yield:

thymoquinone (490-91-5) → dibromothymoquinone (29096-93-3)

Guidance literature:

With chloroform; bromine;

upstream raw materials:

thymoquinone

thymohydroquinone

bromine

acetic acid

Downstream raw materials:

2,5-dihydroxy-3-isopropyl-6-methyl-[1,4]benzoquinone

3-bromo-5-isopropyl-2-methylbenzene-1,4-diol

2,5-dibromo-3-methyl-6-isopropylhydroquinone

thymohydroquinone

Refernces