2,5-Cyclohexadiene-1,4-dione,2,5-bis(phenylthio)-

Modify Date: 2025-08-26 11:59:54

2,5-Cyclohexadiene-1,4-dione,2,5-bis(phenylthio)- Structure
2,5-Cyclohexadiene-1,4-dione,2,5-bis(phenylthio)- structure
 Common Name 2,5-Cyclohexadiene-1,4-dione,2,5-bis(phenylthio)-
CAS Number 17058-53-6 Molecular Weight 324.41700
Density 1.36g/cm3 Boiling Point 483.2ºC at 760mmHg
Molecular Formula C18H12O2S2 Melting Point N/A
MSDS N/A Flash Point 209.1ºC

 Names

Name 2,5-bis(phenylsulfanyl)cyclohexa-2,5-diene-1,4-dione
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.36g/cm3
Boiling Point 483.2ºC at 760mmHg
Molecular Formula C18H12O2S2
Molecular Weight 324.41700
Flash Point 209.1ºC
Exact Mass 324.02800
PSA 84.74000
LogP 4.49060
Vapour Pressure 1.71E-09mmHg at 25°C
Index of Refraction 1.708

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DK3675000
CHEMICAL NAME :
p-Benzoquinone, 2,5-bis(phenylthio)-
CAS REGISTRY NUMBER :
17058-53-6
BEILSTEIN REFERENCE NO. :
3367850
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C18-H12-O2-S2
MOLECULAR WEIGHT :
324.42
WISWESSER LINE NOTATION :
L6V DVJ BSR& ESR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Morphological transformation
TEST SYSTEM :
Rodent - rat Liver
DOSE/DURATION :
2 mg/L
REFERENCE :
JNCIAM Journal of the National Cancer Institute. (Washington, DC) V.1-60, 1940-78. For publisher information, see JJIND8. Volume(issue)/page/year: 55,375,1975

 Safety Information

HS Code 2930909090

 Synthetic Route

Thiophenol structure

Thiophenol

CAS#:108-98-5

1,4-Benzoquinone structure

1,4-Benzoquinone

CAS#:106-51-4

~12%

2,5-Cyclohexadiene-1,4-dione,2,5-bis(phenylthio)- Structure

2,5-Cyclohexadi...

CAS#:17058-53-6

2,5-bis(phenylsulfanyl)benzene-1,4-diol structure

2,5-bis(phenyls...

CAS#:80632-58-2

Detail
Literature: Tandon, Vishnu K.; Kumar, Sandeep; Mishra, Nripendra N.; Shukla, Praveen K. European Journal of Medicinal Chemistry, 2012 , vol. 56, p. 375 - 386
Thiophenol structure

Thiophenol

CAS#:108-98-5

1,4-Benzoquinone structure

1,4-Benzoquinone

CAS#:106-51-4

~%

2,5-Cyclohexadiene-1,4-dione,2,5-bis(phenylthio)- Structure

2,5-Cyclohexadi...

CAS#:17058-53-6

Literature: Dimroth; Kraft; Aichinger Justus Liebigs Annalen der Chemie, 1940 , vol. 545, p. 124,133
Thiophenol structure

Thiophenol

CAS#:108-98-5

~%

2,5-Cyclohexadiene-1,4-dione,2,5-bis(phenylthio)- Structure

2,5-Cyclohexadi...

CAS#:17058-53-6

Literature: Dimroth; Kraft; Aichinger Justus Liebigs Annalen der Chemie, 1940 , vol. 545, p. 124,133

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

usaf pd-18
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Chemsrc provides CAS#:17058-53-6 MSDS, density, melting point, boiling point, structure, etc. Its name is 2,5-Cyclohexadiene-1,4-dione,2,5-bis(phenylthio)->> amp version: 2,5-Cyclohexadiene-1,4-dione,2,5-bis(phenylthio)-

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