1,8-Bis(phenylsulfanyl)-9,10-anthraquinone

Basic Information

View in Editor

CAS Number

13676-91-0

Molecular Formula

C26H16O2S2

Molecular Weight

424.55 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

618.9 ºC at 760 mmHg

Density

1.4

Flash Point

262.3 ºC

SMILES

View in Editor

C1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=CC=CC=C5

InChI

InChI=1S/C26H16O2S2/c27-25-19-13-7-15-21(29-17-9-3-1-4-10-17)23(19)26(28)24-20(25)14-8-16-22(24)30-18-11-5-2-6-12-18/h1-16H

InChIKey

CNRPDCKHCGUKDK-UHFFFAOYSA-N

LogP

6.764400000000005

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

573

Synonyms & References

English

Anthraquinone,8-bis(phenylthio)-
SCHEMBL3459973
NSC-156516
9,10-Anthracenedione, 1,8-bis(phenylthio)-
MLS000766193
1,8-Bis(phenylthio)-9,10-anthracenedione
1,8-bis(phenylsulfanyl)anthracene-9,10-dione
HMS2811A19
Anthraquinone, 1,8-bis(phenylthio)-
106768-99-4
CHEMBL1569566
NSC 156516
SMR000448708
1,8-bis(phenylthio)anthracene-9,10-dione
NSC156516
DTXSID9065576
Solvent Yellow 163
NCGC00246955-01
EC 237-167-6
1,8-Di(phenylthio)anthraquinone
13676-91-0
EINECS 237-167-6
9, 1,8-bis(phenylthio)-
NS00008493
1,8-Bis(phenylthio)anthraquinone
Transparent Yellow 5RP
C.I.Solvent Yellow 163
FLUORESCENT YELLOW GHS(S-YELLOW 163)
AMAPLAST YELLOW GHS
Naviplast Yellow GHS
Oracet Yellow GHS

MDL Number

MFCD31561714

Customs Code

3204120000

FAQ

What are the physical and chemical properties of 1,8-Bis(phenylsulfanyl)-9,10-anthraquinone (CAS: 13676-91-0)?

1,8-Bis(phenylsulfanyl)-9,10-anthraquinone (CAS: 13676-91-0) is a crystalline compound with a molecular weight of approximately 362.34 g/mol. It has low solubility in water but is soluble in organic solvents such as ethanol and acetone. The compound is not particularly reactive under normal conditions but can undergo electrophilic substitution reactions. It is stable under ambient conditions but should be stored in a dry environment to prevent moisture absorption.

How is 1,8-Bis(phenylsulfanyl)-9,10-anthraquinone (CAS: 13676-91-0) typically synthesized?

1,8-Bis(phenylsulfanyl)-9,10-anthraquinone (CAS: 13676-91-0) is typically synthesized by the sequential addition of phenylsulfonyl chloride to anthraquinone in the presence of a base like sodium hydride. The reaction is carried out in an inert solvent like dimethylformamide (DMF) to ensure high yield and selectivity. The product is isolated through a combination of filtration and recrystallization, ensuring crystalline purity.

What industries use 1,8-Bis(phenylsulfanyl)-9,10-anthraquinone (CAS: 13676-91-0)?

1,8-Bis(phenylsulfanyl)-9,10-anthraquinone (CAS: 13676-91-0) finds applications in various industries. It is used in the pharmaceutical sector for the development of certain dyes and pigments. It also has potential uses in sensor technology, where it can act as a sensitive material for detecting specific chemical species. Additionally, it is explored for its properties in semiconductor materials and as a precursor in the synthesis of other complex organic compounds.

What precautions should be taken when handling 1,8-Bis(phenylsulfanyl)-9,10-anthraquinone (CAS: 13676-91-0)?

When handling 1,8-Bis(phenylsulfanyl)-9,10-anthraquinone (CAS: 13676-91-0), it is essential to use appropriate personal protective equipment (PPE) such as safety goggles, chemical-resistant gloves, and lab coats. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation of any vapors. In case of a spill, it should be cleaned up immediately using absorbent materials, and the area should be thoroughly washed with water. Always consult the Material Safety Data Sheet (MSDS/SDS) for detailed safety information and procedures.