2,2-Dichloroacetophenone

Inquiry

Molecular Formula:

C8H6Cl2O

Molecular Weight:

189.04

CAS Number:

2648-61-5

Catalog Number:

2648-61-5

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

Canonical 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

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

187.9795702 g/mol

Monoisotopic Mass

187.9795702 g/mol

Topological Polar Surface Area

17.1Å²

Heavy Atom Count

Formal Charge

Complexity

139

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
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

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