Anthraquinone - CAS 84-65-1

Catalog:	BB037271
Product Name:	Anthraquinone
CAS:	84-65-1
Synonyms:	9,10-Anthraquinone; 9,10-Anthracenedione; 1,4,11,12-Tetrahydro-9,10-anthraquinone; Anthracene-9,10-quinone; Anthradione; Avipel; DAQ-N; Flight Control; Hoelite; Kawasaki SAQ; Morkit; NSC 7957; SAQ; Corbit

Technical Data

IUPAC Name:	anthracene-9,10-dione
Description:	Anthraquinone is used in dye manufacturing, the textile and pulp industries, and as a bird repellant.
Molecular Weight:	208.21
Molecular Formula:	C14H8O2
Canonical SMILES:	C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O
InChI:	InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H
InChI Key:	RZVHIXYEVGDQDX-UHFFFAOYSA-N
Boiling Point:	377.0±12.0°C at 760 mmHg
Melting Point:	284-286°C
Flash Point:	185 ℃
Purity:	≥98%
Density:	1.438 g/cm³
Solubility:	Soluble in Acetonitrile (Slightly, Heated, Sonicated), Chloroform (Slightly), Methanol (Slightly)
Appearance:	Yellow Crystal or Powder
Storage:	Store at RT
Decomposition:	When heated to decomposition it emits acrid smoke and irritating fumes
MDL:	MFCD00001188
LogP:	2.46200
Stability:	Stable to acids and alkalis
Vapor Pressure:	0.0±0.9 mmHg at 25°C

GHS Hazard Statement:	H350: May cause cancer [Danger Carcinogenicity]
Precautionary Statement:	P201, P202, P281, P308+P313, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-11028300-B1	Environmentally friendly refrigerant compositions	20200916
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US-10947182-B1	Cinnamyl alcohol cassic acid ester with antibacterial activity and a method of preparing the same	20200627
US-10941120-B1	6-aminouracil cassic acid ester with antibacterial activity and a method of preparing the same	20200623
US-2020395554-A1	Compound and organic electro-optical device containing the same	20200515

PMID	Publication Date	Title	Journal
33984424	20210701	Versicolorin A enhances the genotoxicity of aflatoxin B1 in human liver cells by inducing the transactivation of the Ah-receptor	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
33368780	20210301	Purpurin binding interacts with LHPP protein that inhibits PI3K/AKT phosphorylation and induces apoptosis in colon cancer cells HCT-116	Journal of biochemical and molecular toxicology
33030807	20210201	Molecular mechanisms of quinalizarin induces apoptosis and G0/G1 cell cycle of human esophageal cancer HCE-4 cells depends on MAPK, STAT3, and NF-κB signaling pathways	Environmental toxicology
32941855	20201115	ATP and ADP enhance DNA damage repair in γ-irradiated BEAS-2B human bronchial epithelial cells through activation of P2X7 and P2Y12 receptors	Toxicology and applied pharmacology
32106047	20200401	Versicolorin A, a precursor in aflatoxins biosynthesis, is a food contaminant toxic for human intestinal cells	Environment international

Complexity:	261
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.052429494
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	208.052429494
Rotatable Bond Count:	0
Topological Polar Surface Area:	34.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4