3',5'-Dibromo-4'-hydroxyacetophenone

Inquiry

Molecular Formula:

C8H6Br2O2

Molecular Weight:

293.94

CAS Number:

2887-72-1

Catalog Number:

2887-72-1

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

Canonical 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 ℃ (Predicted)

Melting Point

182-187 ℃ (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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

293.87141 g/mol

Monoisotopic Mass

291.87345 g/mol

Topological Polar Surface Area

37.3Å²

Heavy Atom Count

Formal Charge

Complexity

172

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

The molarity calculator equation

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The dilution calculator equation

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