(6Z)-6-[(5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one

Names

[ CAS No. ]:
2491-96-5

[ Name ]:
(6Z)-6-[(5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one

Chemical & Physical Properties

[ Density]:
1.438g/cm3

[ Boiling Point ]:
438.5ºC at 760mmHg

[ Molecular Formula ]:
C14H10N2O3

[ Molecular Weight ]:
254.24100

[ Flash Point ]:
219ºC

[ Exact Mass ]:
254.06900

[ PSA ]:
79.38000

[ LogP ]:
2.81480

[ Vapour Pressure ]:
6.86E-08mmHg at 25°C

[ Index of Refraction ]:
1.68

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SM5920000
CHEMICAL NAME :
Phenol, o,o'-(1,3,4-oxadiazol-2,5-ylene)di-
CAS REGISTRY NUMBER :
2491-96-5
LAST UPDATED :
199803
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H10-N2-O3
MOLECULAR WEIGHT :
254.26
WISWESSER LINE NOTATION :
T5NN DOJ CR BQ& ER BQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2032 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 39,858,1984

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Salicylic acid
  • Benzoyl chloride,2-hydroxy-
  • SCS
  • Salicylhydrazide
  • 1-((2-hydroxyphenyl)(methylthio)methylene)piperidin-1-ium iodide
  • (6Z)-6-[piperidin-1-yl(sulfanyl)methylidene]cyclohexa-2,4-dien-1-one
  • Salicylaldehyde
  • 2-(o-Hydroxy-α-piperidinobenzylidene)salicylohydrazide
  • Benzoic acid,2-hydroxy-, 2-(2-hydroxybenzoyl)hydrazide

DownStream