2,2-Dichloroacetophenone
Product Information
Molecular Formula
C8H6Cl2O
Molecular Weight
189.04
Description
2,2-Dichloroacetophenone (CAS# 2648-61-5) is a useful research chemical, a PDK inhibitor in an anticancer therapy.
Synonyms
2,2-dichloro-1-phenylethanone
IUPAC Name
2,2-dichloro-1-phenylethanone
SMILES
C1=CC=C(C=C1)C(=O)C(Cl)Cl
InChI
InChI=1S/C8H6Cl2O/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,8H
InChI Key
CERJZAHSUZVMCH-UHFFFAOYSA-N
Boiling Point
247 °C
Melting Point
18 °C
Purity
> 97.0 % (GC)
Density
1.34 g/mL at 25 °C (lit.)
Appearance
Clear colourless to slightly pink liquid
Refractive Index
1.57
LogP
2.67300
Safety Information
Hazards
H315 H319
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
187.9795702 g/mol
Monoisotopic Mass
187.9795702 g/mol
Topological Polar Surface Area
17.1Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
139
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 |
|---|---|---|
| JP-2022031758-A | A photosensitive resin composition, a photosensitive film using the photosensitive resin composition, a method for forming a resist pattern, and a printed wiring board. | 2021-11-19 |
| CN-114015331-A | Protective film for conductive film and preparation method thereof | 2021-10-22 |
| JP-6996656-B1 | Colored layer forming composition, optical film and display device | 2021-08-17 |
| KR-102367705-B1 | Solvent-free quantumdot composition, manufacturing method thereof and cured film, color filter and display device using the same | 2021-08-06 |
| CN-113480892-A | Etching-resistant ink-jet ink and preparation method thereof | 2021-07-06 |
| CN-113176707-A | Photosensitive dry film and preparation method thereof | 2021-04-29 |
| CN-113198302-A | SRR free radical cluster medicament for treating various VOCs (volatile organic compounds) foul waste gas | 2021-04-15 |
| CN-112961043-A | Preparation of alpha, alpha-dichloroketone under solvent-free condition | 2021-03-12 |
| JP-2021080483-A | Complex | 2021-03-04 |
| JP-2021073352-A | Curable composition and its cured product | 2021-01-29 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21583130 | 2009-05-14 | 1-(2,4-Dichloro-phen-yl)-3-[4-(dimethyl-amino)phen-yl]prop-2-enone | Acta crystallographica. Section E, Structure reports online |
