Lawsone - CAS 83-72-7

Name: Lawsone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB037080
Product Name:	Lawsone
CAS:	83-72-7
Synonyms:	2-Hydroxy-1,4-naphthoquinone; 2-Hydroxynaphthoquinone
Application:	2,2-Dichloroacetamide was an aliphatic halogenated DBP precursor identified in drinking water treatment; a pollutant.

Technical Data

Related CAS:	68310-00-9 (hydrochloride salt)
IUPAC Name:	4-hydroxynaphthalene-1,2-dione
Description:	Lawsone is a quinone with antimicrobial and antioxidant activity.
Molecular Weight:	174.15
Molecular Formula:	C10H6O3
Canonical SMILES:	C1=CC=C2C(=C1)C(=CC(=O)C2=O)O
InChI:	InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H
InChI Key:	WVCHIGAIXREVNS-UHFFFAOYSA-N
Boiling Point:	339.908 °C at 760 mmHg
Melting Point:	192-195°C
Purity:	98 %
Density:	1.46 g/cm³ (25°C)
Solubility:	less than 1 mg/mL at 66 °F
Appearance:	Powder
Storage:	Keep tightly closed. Store in a cool dry place.
MDL:	MFCD00001678
LogP:	1.50750
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents.

GHS Hazard Statement:	H302 (15.22%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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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
25584612	20150109	Hair dyes resorcinol and lawsone reduce production of melanin in melanoma cells by tyrosinase activity inhibition and decreasing tyrosinase and microphthalmia-associated transcription factor (MITF) expression	International journal of molecular sciences
23841934	20130710	Biological evaluation of hydroxynaphthoquinones as anti-malarials	Malaria journal
23571415	20130601	Structure-based identification of OATP1B1/3 inhibitors	Molecular pharmacology
22766473	20120830	The effectiveness of jewelweed, Impatiens capensis, the related cultivar I. balsamina and the component, lawsone in preventing post poison ivy exposure contact dermatitis	Journal of ethnopharmacology

Complexity:	291
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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9