4,5-Diacetoxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid

Basic Information

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CAS Number

13739-02-1

Molecular Formula

C19H12O8

Molecular Weight

368.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

241.0 to 245.0 deg-C

Boiling Point

631.5°C at 760 mmHg

Density

1.4910

Flash Point

231.8±25.0 °C

Solubility

DMSO

Refractive Index

1.634

SMILES

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CC(=O)OC1=CC=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3OC(=O)C)C(=O)O

InChI

InChI=1S/C19H12O8/c1-8(20)26-13-5-3-4-11-15(13)18(23)16-12(17(11)22)6-10(19(24)25)7-14(16)27-9(2)21/h3-7H,1-2H3,(H,24,25)

InChIKey

TYNLGDBUJLVSMA-UHFFFAOYSA-N

LogP

2.0108

Topological Polar Surface Area

124.04 Å²

Hydrogen Bond Donor/Acceptor

1 / 8

Complexity

683

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Synonyms & References

English

DivK1c_006739
4HU6J11EL5
Diacerhein
KBio2_004963
M01AX21
NS00018043
NSC758147
EN300-7368632
4,5-diacetyloxy-9,10-dioxo-2-anthracenecarboxylic acid
CHEBI:94708
cid_26248
AB00053327_14
BD164367
Fisiodar
4,5-Bis(acetyloxy)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxylic Acid
AKOS005622705
Diacerein, European Pharmacopoeia (EP) Reference Standard
112118-18-0
Diacerhein; Diacetylrhein
BRN 2184909
4,5-Diacetoxy-9,10-dihydro-9,10-dioxo-2-anthrylcarbonsaeure
AC-203
D07270
DIACEREIN [MART.]
4,5-Diacetylrhein
SPECTRUM1502010
4,5-Diacetoxyanthraquinone-2-carboxylic Acid
1,8-Diacetoxyanthraquinone-3-carboxylic acid
SpecPlus_000643
NSC 758147
DTXCID2025636

MDL Number

MFCD00468030

Customs Code

2918990090

FAQ

What is 4,5-Diacetoxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid (CAS: 13739-02-1)?

4,5-Diacetoxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid (CAS: 13739-02-1) is a synthetic organic compound belonging to the anthracene derivative family. It has the chemical formula C16H12O6 and is characterized by its two acetoxy groups attached to the 4 and 5 positions of the anthracene ring system. This compound is known for its stability and is often used in specialized chemical applications.

What are the main uses of 4,5-Diacetoxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid (CAS: 13739-02-1)?

4,5-Diacetoxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid (CAS: 13739-02-1) is primarily used in pharmaceutical research for its potential biological activity. It also finds applications in organic synthesis and as a precursor for the development of various functional compounds. Its use in industrial and food sectors is limited due to specific handling requirements.

Is 4,5-Diacetoxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid (CAS: 13739-02-1) safe?

4,5-Diacetoxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid (CAS: 13739-02-1) is generally considered safe when handled properly. However, it should be used with caution, as direct skin contact or inhalation may cause irritation. Safety standards recommend wearing appropriate personal protective equipment (PPE) and following standard lab safety protocols to minimize exposure risks.

How should 4,5-Diacetoxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid (CAS: 13739-02-1) be stored?

4,5-Diacetoxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid (CAS: 13739-02-1) should be stored in a cool, dry, and dark environment to maintain stability. It is best kept in a tightly sealed container at a temperature below 25°C and away from moisture and direct light. Proper storage is essential to prevent degradation and ensure safety during handling.