3',5'-Dibromo-4'-hydroxyacetophenone
Product Information
Molecular Formula
C8H6Br2O2
Molecular Weight
293.94
Description
3',5'-Dibromo-4'-hydroxyacetophenone (CAS# 2887-72-1) is a useful research chemical.
Synonyms
1-(3,5-dibromo-4-hydroxyphenyl)ethanone
IUPAC Name
1-(3,5-dibromo-4-hydroxyphenyl)ethanone
SMILES
CC(=O)C1=CC(=C(C(=C1)Br)O)Br
InChI
InChI=1S/C8H6Br2O2/c1-4(11)5-2-6(9)8(12)7(10)3-5/h2-3,12H,1H3
InChI Key
ZNWPTJSBHHIXLJ-UHFFFAOYSA-N
Boiling Point
337.7±42.0 °C (Predicted)
Melting Point
182-187 °C (lit.)
Purity
> 97.0 % (GC)
Density
1.936±0.06 g/cm3(Predicted)
Appearance
White to almost white powder to crystal
LogP
3.11980
Safety Information
Hazards
H315 H319
Precautionary Statement
P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word
Danger
Computed Properties
XLogP3
3.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
293.87141 g/mol
Monoisotopic Mass
291.87345 g/mol
Topological Polar Surface Area
37.3Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
172
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2019141259-A1 | Heterocyclic compound, preparation method and use thereof in medicine | 2018-01-19 |
| EP-3741759-A1 | Heterocyclic compound, preparation method and use thereof in medicine | 2018-01-19 |
| KR-102109061-B1 | Compounds that treat or prevent hyperuricemia or gout | 2015-09-10 |
| KR-20180044426-A | Compounds that treat or prevent hyperuricemia or gout | 2015-09-10 |
| BR-102014014142-A2 | sustainable process for chalcone synthesis using glycerol as solvent | 2014-06-11 |
| KR-101586558-B1 | Functionalized carbon nanoparticle and functional polymer fiber using the same | 2014-01-21 |
| KR-20150086927-A | Functionalized carbon nanoparticle and functional polymer fiber using the same | 2014-01-21 |
| US-2015204009-A1 | Functionalized carbon nanoparticles and functional polymer fibers prepared using the same | 2014-01-21 |
| US-9604929-B2 | Functionalized carbon nanoparticles and functional polymer fibers prepared using the same | 2014-01-21 |
| BR-102013030049-A2 | application of chalcones as antioxidant reagent in biodiesel | 2013-11-22 |
