1,4,5,8-Tetrahydroxy-9,10-anthracenedione

HCID 6686
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
81-60-7
Standard SMILES
O=C1c2c(O)ccc(O)c2C(=O)c2c(O)ccc(O)c21
InChIKey
SOGCSKLTQHBFLP-UHFFFAOYSA-N
Molecular formula
C14H8O6
Average molar mass
272.21 g/mol
Monoisotopic mass
272.03208798

Overview

1,4,5,8-tetrahydroxyanthraquinone is a tetrahydroxyanthraquinone.

Names & identifiers

Preferred name
1,4,5,8-Tetrahydroxy-9,10-anthracenedione
IUPAC
1,4,5,8-tetrahydroxyanthracene-9,10-dione
English name
1,4,5,8-TETRAHYDROXYANTHRAQUINONE
Molecular formula
C14H8O6
Molecular weight
272.21

Names & synonyms

1,4,5,8-Tetrahydroxyanthraquinone81-60-71,4,5,8-tetrahydroxyanthracene-9,10-dione9,10-Anthracenedione, 1,4,5,8-tetrahydroxy-1,4,5,8-Leucotetraoxyanthraquinone1,4,5,8-TetrahydroxyanthrachinonANTHRAQUINONE, 1,4,5,8-TETRAHYDROXY-E3RU79UW8G1,4,5,8-tetrahydroxy-9,10-anthraquinone1,4,5,8-tetrahydroxy-9,10-anthracenedioneNSC-401144CHEBI:37479
Show more names
1,4,5,8-LtoaRARECHEM AQ BD AN29Mitoxantrone Impurity 161,4,5,8-tetrahydroxy-anthraquinon1,4,5,8-TETRAHTYDROXYANTHRAQUINONE
DTXSID80230843RefChem:72972DTXCID10153334201-365-09,10-Anthracenedione,1,4,5,8-tetrahydroxy-1,4,5,8-Tetrahydroxy anthraquinone1,4,5,8-Ltoa [Russian]EINECS 201-365-0

Database identifiers

CAS
81-60-7
PubChem CID
6686
DTXSID
DTXSID80230843
ChEMBL
CHEMBL5201761
ChEBI
CHEBI:37479
UNII
E3RU79UW8G
EC Number
201-365-0
Nikkaji
J55.392A、J710.749H

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
115 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
0
Heavy atoms
20

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point
274.85 °C · >274.85°C
Boiling point
375.27 °C · 375.27°C (rough estimate)
Density
1.4292 · 1.4292 (rough estimate)
refractive index
1.523 · 1.5230 (estimate)
pka
6.45 · 6.45±0.20(Predicted)
InChI
InChI=1S/C14H8O6/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,15-18H

Safety & regulation

Safety data

Signal word
Danger
Symbol(GHS)
GHS06
Hazard statements
H301
Precautionary statements
P264-P270-P301+P310+P330-P405-P501

Chemistry & industry

Applications

Uses1,4,5,8-Tetrahydroxyanthra-9,10-quinone is used in preparing electrode material of Lithium ion batteries. Also, used in production of alkali metal and alkali-ion batteries with high volumetric and gravimetric energy densities.

Upstream & downstream products

Upstream raw materials

Suppliers83 total

江西益众化工有限公司15307925109 15350027073 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北实兴化工有限公司13554155445 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]

Additional notes

DefinitionChEBI: 1,4,5,8-tetrahydroxyanthraquinone is a tetrahydroxyanthraquinone.

Related reactions

2 records
New reaction record

Compound notes

Loading…