3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-d imethyl-

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Names

[ CAS No. ]:
110623-40-0

[ Name ]:
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-d imethyl-

[Synonym ]:
3H-1,2,4-Triazole-3-thione,2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl
2,4-Dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-3H-1,2,4-triazole-3-thione
3H-1,2,4-Triazole-3-thione,5-(1,3-benzodioxol-5-yl)-2,4-dihydro-2,4-dimethyl

Chemical & Physical Properties

[ Density]:
1.46g/cm3

[ Boiling Point ]:
332.9ºC at 760 mmHg

[ Molecular Formula ]:
C11H11N3O2S

[ Molecular Weight ]:
249.28900

[ Flash Point ]:
155.1ºC

[ Exact Mass ]:
249.05700

[ PSA ]:
73.30000

[ LogP ]:
1.88380

[ Vapour Pressure ]:
0.000142mmHg at 25°C

[ Index of Refraction ]:
1.705

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ5358585
CHEMICAL NAME :
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-
CAS REGISTRY NUMBER :
110623-40-0
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H11-N3-O2-S
MOLECULAR WEIGHT :
249.31

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 :
>800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 31,1253,1988

Safety Information

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

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

  • 3,4-Dibromo-7,8-dichloro-2-methylquinoline
  • 2-(3-(pyridin-4-yl)-1H-pyrazol-4-yl)acetonitrile
  • 7-(2-Chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1,1-dimethyl-2,3-dihydro-1H-benzo[d]pyrrolo[1,2-a]imidazole
  • (2R,3R)-2-(1-Benzylpyrazol-4-yl)oxolane-3-carboxylic acid
  • 3,4-Dibromo-7,8-difluoro-2-methylquinoline
  • 1-(2-azidoethyl)-1H-pyrazol-5-amine
  • 1-(2-azidoethyl)-3-methyl-1H-pyrazol-5-amine
  • 9-(2-Methyl-3-oxo-1-cyclopenten-1-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylic acid 1,1-dimethylethyl ester
  • 5-[(1R)-1-Hydroxy-2-[7-(methoxymethoxy)-3,9-diazaspiro[5.5]undec-3-yl]ethyl]-4-methyl-1(3H)-isobenzofuranone
  • 4-((6-Chloropyridin-3-yl)methyl)-1-fluoro-N-((1SR,2SR)-2-hydroxycyclohexyl)-2-naphthamide
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