4-Chlorochalcone - CAS 956-04-7

Catalog:	BB041774
Product Name:	4-Chlorochalcone
CAS:	956-04-7
Synonyms:	(E)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one

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Computed Properties

IUPAC Name:	(E)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
Description:	4-Chlorochalcone (CAS# 956-04-7 ) is a useful research chemical.
Molecular Weight:	242.70
Molecular Formula:	C15H11ClO
Canonical SMILES:	C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)Cl
InChI:	InChI=1S/C15H11ClO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H/b11-8+
InChI Key:	ABGIIXRNMHUKII-DHZHZOJOSA-N
Boiling Point:	381.9 °C at 760 mmHg
Melting Point:	113-117 °C
Purity:	95 %
Density:	1.202 g/cm³
Appearance:	Crystalline powder
MDL:	MFCD00016345
LogP:	4.23610

Publication Number	Title	Priority Date
CN-109851540-B	Application of aryloxy functionalized prolinol chiral ligand as catalyst	20190318
TW-202003433-A	Method for manufacturing fluoromethyl derivatives	20180511
WO-2019216415-A1	Production method for fluoromethyl derivative	20180511
EP-3792240-A1	Production method for fluoromethyl derivative	20180511
US-2021206740-A1	Production method for fluoromethyl derivative	20180511

PMID	Publication Date	Title	Journal
22658085	20120801	Synthesis and in vitro evaluation of novel tetrazole embedded 1,3,5-trisubstituted pyrazoline derivatives as Entamoeba histolytica growth inhibitors	European journal of medicinal chemistry
20639112	20100715	Identification of chalcones as in vivo liver monofunctional phase II enzymes inducers	Bioorganic & medicinal chemistry
17383189	20070515	Synthetic chalcones, flavanones, and flavones as antitumoral agents: biological evaluation and structure-activity relationships	Bioorganic & medicinal chemistry
17007965	20070101	Study on the substituents' effects of a series of synthetic chalcones against the yeast Candida albicans	European journal of medicinal chemistry

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Carbonyl Compounds

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[956439-56-8]
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[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
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2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	271
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	242.0498427
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	242.0498427
Rotatable Bond Count:	3
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7