2-Bromo-2',4',6'-trimethylacetophenone - CAS 4225-92-7

Catalog:	BB025090
Product Name:	2-Bromo-2',4',6'-trimethylacetophenone
CAS:	4225-92-7
Synonyms:	2-bromo-1-(2,4,6-trimethylphenyl)ethanone; 2-bromo-1-(2,4,6-trimethylphenyl)ethanone

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	2-bromo-1-(2,4,6-trimethylphenyl)ethanone
Description:	2-Bromo-2',4',6'-trimethylacetophenone (CAS# 4225-92-7) is a useful research chemical.
Molecular Weight:	241.12
Molecular Formula:	C11H13BrO
Canonical SMILES:	CC1=CC(=C(C(=C1)C)C(=O)CBr)C
InChI:	InChI=1S/C11H13BrO/c1-7-4-8(2)11(9(3)5-7)10(13)6-12/h4-5H,6H2,1-3H3
InChI Key:	HRAZXKYOYNRVMU-UHFFFAOYSA-N
Boiling Point:	297.8 °C at 760 mmHg
Density:	1.317 g/cm³
LogP:	3.18940

Publication Number	Title	Priority Date
WO-2020263790-A1	Olefin polymerization catalysts bearing a thiazole or imidazole	20190626
US-2016318918-A1	Small molecule modifiers of the hec1-nek2 interaction in g2/m	20130720
US-9670197-B2	Small molecule modifiers of the Hec1-Nek2 interaction in G2/M	20130720
AU-2012345843-A1	Improved modulators of Hec1 activity and methods therefor	20111129
AU-2012345843-B2	Improved modulators of Hec1 activity and methods therefor	20111129

PMID	Publication Date	Title	Journal
21583898	20090422	2-Bromo-1-mesitylethanone	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.01498
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	240.01498
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5