2-Chloro-1,4-naphthoquinone - CAS 1010-60-2

Catalog:	BB000427
Product Name:	2-Chloro-1,4-naphthoquinone
CAS:	1010-60-2
Synonyms:	2-chloronaphthalene-1,4-dione; 2-chloronaphthalene-1,4-dione

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Computed Properties

IUPAC Name:	2-chloronaphthalene-1,4-dione
Description:	2-Chloro-1,4-naphthoquinone (CAS# 1010-60-2) is a substituted naphthoquinones as insecticides and acaricides.
Molecular Weight:	192.60
Molecular Formula:	C10H5ClO2
Canonical SMILES:	C1=CC=C2C(=C1)C(=O)C=C(C2=O)Cl
InChI:	InChI=1S/C10H5ClO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5H
InChI Key:	CCTJHVLTAJTPBV-UHFFFAOYSA-N
Boiling Point:	308 °C at 760 mmHg
Density:	1.42 g/cm³
MDL:	MFCD00029187
LogP:	2.18830

Publication Number	Title	Priority Date
CN-112479950-A	Preparation process of novel PIN1 inhibitor	20201210
CN-111423428-A	Organic compound, preparation method thereof and organic light-emitting diode	20200507
CN-111138315-A	Cyanoalkyl substituted quinone compound and synthesis method thereof	20191213
CN-110437124-B	Preparation method of indoloquinone derivative	20190814
CN-110372068-A	A kind of preparation method and applications of the metal hydroxides electrode of COF load	20190710

PMID	Publication Date	Title	Journal
22483633	20120601	On the search for potential anti-Trypanosoma cruzi drugs: synthesis and biological evaluation of 2-hydroxy-3-methylamino and 1,2,3-triazolic naphthoquinoidal compounds obtained by click chemistry reactions	European journal of medicinal chemistry
20621484	20100801	Synthesis and biological evaluation of naphthoquinone analogs as a novel class of proteasome inhibitors	Bioorganic & medicinal chemistry
21582102	20090227	2-Ferrocenyl-N-(2-ferrocenylbenzo-yl)-N-(4-methyl-2-pyrid-yl)benzamide	Acta crystallographica. Section E, Structure reports online
21582154	20090206	2-Fluoro-N-(2-fluoro-benzo-yl)-N-(2-pyrid-yl)benzamide	Acta crystallographica. Section E, Structure reports online
21581704	20081210	2-Chloro-3-(4-chloro-benzamido)-1,4-naphthoquinone	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	293
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.9978071
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	191.9978071
Rotatable Bond Count:	0
Topological Polar Surface Area:	34.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3