2-Bromo-1,4-naphthoquinone - CAS 2065-37-4

Catalog:	BB016131
Product Name:	2-Bromo-1,4-naphthoquinone
CAS:	2065-37-4
Synonyms:	2-bromonaphthalene-1,4-dione

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Computed Properties

IUPAC Name:	2-bromonaphthalene-1,4-dione
Description:	2-Bromo-1,4-naphthoquinone (CAS# 2065-37-4) is a structural analog of Vitamin K3 (V676130) and has been used in cancer research studies to increase H2O2 production in tumor cell lines.
Molecular Weight:	237.05
Molecular Formula:	C10H5BrO2
Canonical SMILES:	C1=CC=C2C(=C1)C(=O)C=C(C2=O)Br
InChI:	InChI=1S/C10H5BrO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5H
InChI Key:	KJOHPBJYGGFYBJ-UHFFFAOYSA-N
Boiling Point:	324.2 ℃ at 760 mmHg
Density:	1.757 g/cm³
Appearance:	Light to dark yellow powder or crystals
MDL:	MFCD00629301
LogP:	2.34440

Publication Number	Title	Priority Date
CN-113461506-A	Preparation process of 2-bromo-1, 4-naphthoquinone	20210623
CN-110183427-A	A kind of preparation method of the square ring element analog of the rhamnose of deoxidation containing 2-	20190531
CN-110229170-A	A kind of preparation method of 5- azepine Marangucycline B	20190531
CN-109748809-A	A method of synthesis 2- substituted-amino -1,4- naphthoquinone derivatives	20190115
WO-2020028222-A1	Compounds for the treatment of neurological or mitochondrial diseases	20180729

PMID	Publication Date	Title	Journal
29902415	20180801	Synthesis of newly functionalized 1,4-naphthoquinone derivatives and their effects on wound healing in alloxan-induced diabetic mice	Chemico-biological interactions
22584645	20120801	2-Bromo-1,4-naphthoquinone: a potentially improved substitute of menadione in Apatone™ therapy	Brazilian journal of medical and biological research = Revista brasileira de pesquisas medicas e biologicas
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
22114475	20110101	Cytotoxicity of naphthoquinones and their capacity to generate reactive oxygen species is quenched when conjugated with gold nanoparticles	International journal of nanomedicine
18304897	20080315	Bromide-sulfur interchange: ion chromatographic determination of total reduced thiol levels in plasma	Journal of chromatography. B, Analytical technologies in the biomedical and life sciences

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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:	293
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	235.94729
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	235.94729
Rotatable Bond Count:	0
Topological Polar Surface Area:	34.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4