1,4-Dihydroxynaphthalene - CAS 571-60-8

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

Technical Data

IUPAC Name:	naphthalene-1,4-diol
Description:	1,4-Dihydroxynaphthalene (CAS# 571-60-8) is a useful research chemical.
Molecular Weight:	160.17
Molecular Formula:	C10H8O2
Canonical SMILES:	C1=CC=C2C(=C1)C(=CC=C2O)O
InChI:	InChI=1S/C10H8O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6,11-12H
InChI Key:	PCILLCXFKWDRMK-UHFFFAOYSA-N
Boiling Point:	391 °C at 760 mmHg
Melting Point:	188-192 °C
Purity:	Techincal grade
Density:	1.33 g/cm³
Appearance:	Brown to greyish powder
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
LogP:	2.25100
Refractive Index:	1.5178 (estimate)

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
22682920	20120715	A laccase-catalysed one-pot synthesis of aminonaphthoquinones and their anticancer activity	Bioorganic & medicinal chemistry
22530964	20120518	Three different dimerizations of 2-bromo-3-methyl-1,4-naphthoquinones	The Journal of organic chemistry
22220566	20120308	Discovery and synthesis of hydronaphthoquinones as novel proteasome inhibitors	Journal of medicinal chemistry
20055453	20100211	Rational design of indoleamine 2,3-dioxygenase inhibitors	Journal of medicinal chemistry
20127150	20100201	Naphthoquinones and anthraquinones from scent glands of a dyspnoid Harvestman, Paranemastoma quadripunctatum	Journal of chemical ecology

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.052429494
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	160.052429494
Rotatable Bond Count:	0
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8