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

Modify Date: 2025-08-27 17:29:00

(6Z)-6-[(5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one Structure
(6Z)-6-[(5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one structure
 Common Name (6Z)-6-[(5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one
CAS Number 2491-96-5 Molecular Weight 254.24100
Density 1.438g/cm3 Boiling Point 438.5ºC at 760mmHg
Molecular Formula C14H10N2O3 Melting Point N/A
MSDS N/A Flash Point 219ºC

 Names

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
InChIKey SEMAVAGWZWRRKM-UHFFFAOYSA-N
SMILES Oc1ccccc1-c1nnc(-c2ccccc2O)o1

 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

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Chemsrc provides CAS#:2491-96-5 MSDS, density, melting point, boiling point, structure, etc. Its name is (6Z)-6-[(5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one>> amp version: (6Z)-6-[(5E)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,3,4-oxadiazolidin-2-ylidene]cyclohexa-2,4-dien-1-one

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