3',4'-Dichloro-2-hydroxyacetophenone - CAS 113337-38-5

Catalog:	BB003160
Product Name:	3',4'-Dichloro-2-hydroxyacetophenone
CAS:	113337-38-5
Synonyms:	1-(3,4-dichlorophenyl)-2-hydroxyethanone; 1-(3,4-dichlorophenyl)-2-hydroxyethanone

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(3,4-dichlorophenyl)-2-hydroxyethanone
Description:	3',4'-Dichloro-2-hydroxyacetophenone (CAS# 113337-38-5) is a useful research chemical.
Molecular Weight:	205.04
Molecular Formula:	C8H6Cl2O2
Canonical SMILES:	C1=CC(=C(C=C1C(=O)CO)Cl)Cl
InChI:	InChI=1S/C8H6Cl2O2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,11H,4H2
InChI Key:	VEQBTDISCZJNID-UHFFFAOYSA-N
Boiling Point:	351 °C at 760 mmHg
Density:	1.44 g/cm³
MDL:	MFCD07698585
LogP:	2.16840

Publication Number	Title	Priority Date
TW-201925204-A	Fused tricyclic compound	20171122
EP-2681215-A1	Serine/threonine kinase inhibitors	20110228
EP-2681215-B1	Serine/threonine kinase inhibitors	20110228
JP-2014506930-A	Serine / threonine kinase inhibitor	20110228
JP-6085866-B2	Serine / threonine kinase inhibitor	20110228

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.9744848
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	203.9744848
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4