1,4-Dihydroxyanthraquinone - CAS 81-64-1

Catalog:	BB036684
Product Name:	1,4-Dihydroxyanthraquinone
CAS:	81-64-1
Synonyms:	Quinizarin; Chinizarin; 1,4-Dihydroxyanthrachinon; 1,4-Dihydroxy-9,10-anthraquinone; NSC-229036; NSC-646569; Solvent Orange 86

Technical Data

IUPAC Name:	1,4-dihydroxyanthracene-9,10-dione
Description:	1,4-Dihydroxyanthraquinone, a natural product found in Rubia tinctorum, is used as a fungicide, chemical pesticide and antioxidant, and can inhibit tumor cell growth.
Molecular Weight:	240.21
Molecular Formula:	C14H8O4
Canonical SMILES:	C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O
InChI:	InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H
InChI Key:	GUEIZVNYDFNHJU-UHFFFAOYSA-N
Boiling Point:	465.3±40.0°C at 760 mmHg
Melting Point:	179-182°C
Flash Point:	222ºC
Purity:	≥95%
Density:	1.54 g/cm³
Solubility:	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance:	Orange to Dark Orange Solid
Storage:	Store at -20°C
MDL:	MFCD00001209
LogP:	1.87320
Refractive Index:	1.732
Stability:	Stable under normal temperatures and pressures.
Vapor Pressure:	1 mm Hg ( 196.7 °C)

GHS Hazard Statement:	H315 (96.58%): 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

Publication Number	Title	Priority Date
CN-113368832-A	Adsorbent material and preparation method and application thereof	20210625
CN-113072455-A	Clean process for synthesizing 1, 4-diamino anthraquinone leuco body	20210401
CN-113072439-A	Clean process for synthesizing 1, 4-dihydroxy anthraquinone	20210331
CN-113156766-A	Photosensitive resin composition and application thereof	20210329
CN-112920036-A	Improved refining process of 1, 4-dihydroxy anthraquinone	20210222

PMID	Publication Date	Title	Journal
22444485	20120615	Solubilization of two organic dyes by cationic ester-containing gemini surfactants	Journal of colloid and interface science
22161118	20120601	An investigation of anthraquinone dye biodegradation by immobilized Aspergillus flavus in fluidized bed bioreactor	Environmental science and pollution research international
22392820	20120601	Self-assembled hexanuclear organometallic cages: synthesis, characterization, and host-guest properties	Chemistry, an Asian journal
22590307	20120501	9,10-Dioxoanthracene-1,4-diyl bis-(4-methyl-benzene-sulfonate)	Acta crystallographica. Section E, Structure reports online
22246053	20120221	The adsorption of quinizarin on boron-doped diamond	Physical chemistry chemical physics : PCCP

Complexity:	342
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.04225873
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	240.04225873
Rotatable Bond Count:	0
Topological Polar Surface Area:	74.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7