1,3-DITHIOLANE, 2-PHENYL-

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Names

[ CAS No. ]:
5616-55-7

[ Name ]:
1,3-DITHIOLANE, 2-PHENYL-

[Synonym ]:
2-phenyl-[1,3]dithiolane
2-Phenyl-[1,3]dithiolan
phenyl-1,3-dithiolane
benzaldehyde dithioacetal
1,3-DITHIOLANE,2-PHENYL
Benzaldehyde ethylene dithioacetal

Chemical & Physical Properties

[ Density]:
1.2g/cm3

[ Boiling Point ]:
307ºC at 760 mmHg

[ Melting Point ]:
24 °C

[ Molecular Formula ]:
C9H10S2

[ Molecular Weight ]:
182.30600

[ Flash Point ]:
147.4ºC

[ Exact Mass ]:
182.02200

[ PSA ]:
50.60000

[ LogP ]:
3.16520

[ Index of Refraction ]:
1.638

[ Storage condition ]:
0-10°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
JP1177000
CHEMICAL NAME :
1,3-Dithiolane, 2-phenyl-
CAS REGISTRY NUMBER :
5616-55-7
BEILSTEIN REFERENCE NO. :
0120833
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H10-S2
MOLECULAR WEIGHT :
182.31
WISWESSER LINE NOTATION :
T5S CSTJ BR

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 :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 17,235,1982

Safety Information

[ Hazard Codes ]:
Xi

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzaldehyde
  • 1,2-Ethanedithiol
  • 2-phenyl-1,3-dioxolane
  • Benzaldehyde dimethyl acetal
  • 1,3-Dioxane, 2-phenyl-
  • Methanediol, 1-phenyl-,1,1-diacetate
  • 2,4,8,10-Tetraoxaspiro[5.5]undecane,3,9-diphenyl-
  • 2-phenyl-1,3-oxathiolane
  • Benzene,(diethoxymethyl)-
  • 3-(1,3-dithiolan-2-ylidene)-2,4-pentanedione

DownStream

  • ethane
  • bis(tri-n-butyltin)sulfide
  • Toluene
  • (DIFLUOROMETHYL)BENZENE
  • Thiirane
  • ethene
  • Thiophenol
  • benzene
  • Diphenylsulfid
  • phenyl benzenecarbodithioate

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 1,3-DITHIOLANE, 2-PHENYL-2-(2-THIENYL)-
  • 2-methyl-2-phenyl-1,3-dithiolane
  • 2-(4-methylphenyl)-2-phenyl-1,3-dithiolane
  • 1,3-Dithiolane-2-carboxylicacid, 2-phenyl-
  • [(E)-[(2Z)-2-(dimethylhydrazinylidene)-5,5-dimethyl-1,3-dithiolan-4-ylidene]amino] N-methylcarbamate
  • 1,3-dithiolane-2,4,5-trithione
  • N-{3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl}-4-fluorobenzamide
  • N-(3,7-dimethyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)-3-(trifluoromethyl)benzamide
  • 3-chloro-N-{3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl}benzamide
  • 4-bromo-N-(3,7-dimethyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)benzamide
  • 2-bromo-N-{3,7-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl}benzamide
  • 2-(4-chlorophenyl)-N-(3,7-dimethyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)acetamide
  • 2-chloro-N-(3,7-dimethyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)-6-fluorobenzamide
  • N-(3,7-dimethyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)cyclopentanecarboxamide
  • N-(3,7-dimethyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)-3-(4-methoxyphenyl)propanamide
  • N-butyl-N-methyl-2-{2-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]-1H-1,3-benzodiazol-1-yl}acetamide
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