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2,6-Dibromo-1,4-benzoquinone

HCID 88175
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Basic information

CAS
19643-45-9
Standard SMILES
O=C1C=C(Br)C(=O)C(Br)=C1
InChIKey
FGHCYIPZQUMLRQ-UHFFFAOYSA-N
Molecular formula
C6H2Br2O2
Average molar mass
265.89 g/mol
Monoisotopic mass
263.84215

Overview

inhibits wheat germ RNA polymerase II

Names & identifiers

Preferred name
2,6-Dibromo-1,4-benzoquinone
IUPAC
2,6-dibromocyclohexa-2,5-diene-1,4-dione
English name
2,6-DIBROMO-P-BENZOQUINONE
Molecular formula
C6H2Br2O2
Molecular weight
265.89

Names & synonyms

19643-45-92,6-Dibromo-1,4-benzoquinone2,6-DibromobenzoquinoneXJ6G477JMPDTXSID90173313NSC-294731RefChem:83145DTXCID3095804243-199-12,6-Dibromo-p-benzoquinone2,6-dibromocyclohexa-2,5-diene-1,4-dione2,6-dibromoquinone
Show more names
AIDS-1286802,6-dibromo-1,4-benzene
2,5-Cyclohexadiene-1,4-dione, 2,6-dibromo-MFCD00016365NSC294731EINECS 243-199-1NSC 294731Quinone, 2,6-dibromo-UNII-XJ6G477JMPSCHEMBL891446

Database identifiers

CAS
19643-45-9
PubChem CID
88175
DTXSID
DTXSID90173313
ChEMBL
CHEMBL1989910
UNII
XJ6G477JMP
EC Number
243-199-1
Nikkaji
J82.883A

Properties

Computed structural propertiesFilling in

XLogP
1.7
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
10
Formal charge
0
Complexity
239

Physicochemical properties

Melting point
131 · 131-132 °C
Boiling point
277.3 · 277.3±40.0 °C(Predicted)
Density
2.4 · 2.400±0.06 g/cm3(Predicted)
storage temp.
-20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility
Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form
Solid
color
Dark Yellow
Stability
Moisture and Temperature Sensitive
FDA UNII
6 G477JMP · XJ6G477JMP

Chemistry & industry

Applications

Uses2,6-Dibromoquinone is a reagent used in the preparation of halodiphenyl ether derivatives which has human aldose reductase inhibitor.

Related reactions

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Compound notes

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