5-Hydroxy-1,4-naphthoquinone - CAS 481-39-0

Name: 5-Hydroxy-1,4-naphthoquinone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB026498
Product Name:	5-Hydroxy-1,4-naphthoquinone
CAS:	481-39-0
Synonyms:	5-hydroxynaphthalene-1,4-dione
Application:	2,2'-Dodecylidenebis-1H-phenalene-1,3(2H)-dione is an intermediate in the synthesis of Tribenzo[de,h,kl]naphtho[1,2,3,4-rst]pentaphene (T767600), which is used in nanotechnology in the optical sensing of current dynamics in LED devices.

Technical Data

IUPAC Name:	5-hydroxynaphthalene-1,4-dione
Description:	5-Hydroxy-1,4-naphthoquinone (CAS# 481-39-0) is an intermediate in the synthesis of Tribenzo[de,h,kl]naphtho[1,2,3,4-rst]pentaphene (T767600), which is used in nanotechnology in the optical sensing of current dynamics in LED devices.
Molecular Weight:	174.15
Molecular Formula:	C10H6O3
Canonical SMILES:	C1=CC2=C(C(=O)C=CC2=O)C(=C1)O
InChI:	InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
InChI Key:	KQPYUDDGWXQXHS-UHFFFAOYSA-N
Boiling Point:	385.8 °C at 760 mmHg
Melting Point:	155 °C
Purity:	> 98 %
Density:	1.439 g/cm³
Solubility:	5121 mg/L at 25 °C (est)
Appearance:	Powder
MDL:	MFCD00001684
LogP:	1.32740
Quality Standard:	Enterprise Standard

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H400 (92.09%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
33290254	20201203	Carnitine promotes recovery from oxidative stress and extends lifespan in C. elegans	Aging
31916655	20200201	Indomethacin and juglone inhibit inflammatory molecules to induce apoptosis in colon cancer cells	Journal of biochemical and molecular toxicology
30926317	20190525	Rabbit dehydrogenase/reductase SDR family member 11 (DHRS11): Its identity with acetohexamide reductase with broad substrate specificity and inhibitor sensitivity, different from human DHRS11	Chemico-biological interactions
29992683	20180901	Juglone-ascorbic acid synergy inhibits metastasis and induces apoptotic cell death in poorly differentiated thyroid carcinoma by perturbing SOD and catalase activities	Journal of biochemical and molecular toxicology
28930240	20170501	Anti-Bacterial Activity of Phenolic Compounds against Streptococcus pyogenes	Medicines (Basel, Switzerland)

Complexity:	280
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.031694049
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	174.031694049
Rotatable Bond Count:	0
Topological Polar Surface Area:	54.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9