2-Amino-3-chloro-1,4-naphthoquinone - CAS 2797-51-5

Catalog:	BB019723
Product Name:	2-Amino-3-chloro-1,4-naphthoquinone
CAS:	2797-51-5
Synonyms:	2-Amino-3-chloro-1,4-naphthoquinone; ACNQ; 06K-Quinone; O 6K-quinone; Mogeton granule; NSC 3910

Technical Data

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Computed Properties

IUPAC Name:	2-amino-3-chloronaphthalene-1,4-dione
Description:	Quinoclamine is a NF-κB inhibitor and exhibits anti-cancer activity.
Molecular Weight:	207.61
Molecular Formula:	C10H6ClNO2
Canonical SMILES:	C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)N
InChI:	InChI=1S/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2
InChI Key:	OBLNWSCLAYSJJR-UHFFFAOYSA-N
Boiling Point:	310.2 °C at 760 mmHg
Purity:	99%
Density:	1.49 g/cm³
Storage:	Store at -20°C
LogP:	2.17500

Publication Number	Title	Priority Date
JP-2021152083-A	Pest control method	20210702
JP-2021152084-A	Pest control method	20210702
JP-2021152085-A	Pest control method	20210702
JP-2021152037-A	Heterocyclic amide compound	20210611
JP-2021138753-A	Pest control method for harmful arthropods using heterocyclic compounds	20210610

PMID	Publication Date	Title	Journal
29321614	20180110	Effects on metabolic parameters in young rats born with low birth weight after exposure to a mixture of pesticides	Scientific reports
21590715	20110801	Effects of four rice paddy herbicides on algal cell viability and the relationship with population recovery	Environmental toxicology and chemistry
19422389	20090701	Comprehensive evaluation of a novel nuclear factor-kappaB inhibitor, quinoclamine, by transcriptomic analysis	British journal of pharmacology
17265417	20070501	Structure-activity relationships in the haemolytic activity and nephrotoxicity of derivatives of 1,2- and 1,4-naphthoquinone	Journal of applied toxicology : JAT
16406589	20060301	Effects of five rice herbicides on the growth of two threatened aquatic ferns	Ecotoxicology and environmental safety

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Related Functional Groups

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[1383427-98-2]
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[17746-05-3]
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[832741-29-4]
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[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P201, P202, P260, P261, P264, P270, P271, P272, P273, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P309+P311, P311, P321, P330, P333+P313, P337+P313, P363, P391, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	335
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.0087061
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	207.0087061
Rotatable Bond Count:	0
Topological Polar Surface Area:	60.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1