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Cas Database |
| Name |
2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole |
EINECS | N/A |
| CAS No. | 1044-49-1 | Density | 1.466 g/cm3 |
| PSA | 130.56000 | LogP | 4.26640 |
| Solubility | N/A | Melting Point |
310-312°C |
| Formula | C14H8 N4 O5 | Boiling Point | 537.7 °C at 760 mmHg |
| Molecular Weight | 312.241 | Flash Point | 279 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 36 | Risk Codes | 20/21/22 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,3,4-Oxadiazole,2,5-bis(p-nitrophenyl)- (6CI,7CI,8CI);2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole;2,5-Bis(p-nitrophenyl)-1,3,4-oxadiazole;2,5-Di(4-nitrophenyl)-1,3,4-oxadiazole; |
Article Data | 13 |
2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole Chemical Properties
IUPAC Name: 2,5-bis(4-Nitrophenyl)-1,3,4-oxadiazole
Following is the structure of 1,3,4-Oxadiazole,2,5-bis(4-nitrophenyl)- (CAS NO.1044-49-1):
Empirical Formula: C14H8N4O5
Molecular Weight: 312.2371 g/mol
Index of Refraction: 1.643
Molar Refractivity: 77 cm3
Molar Volume: 212.9 cm3
Density: 1.466 g/cm3
Flash Point: 279 °C
Melting point: 310-312 °C
Surface Tension: 66.1 dyne/cm
Enthalpy of Vaporization: 78.41 kJ/mol
Boiling Point of 1,3,4-Oxadiazole,2,5-bis(4-nitrophenyl)- (CAS NO.1044-49-1): 537.7 °C at 760 mmHg
Vapour Pressure of 1,3,4-Oxadiazole,2,5-bis(4-nitrophenyl)- (CAS NO.1044-49-1): 4.34E-11 mmHg at 25 °C
Canonical SMILES: C1=CC(=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C14H8N4O5/c19-17(20)11-5-1-9(2-6-11)13-15-16-14(23-13)10-3-7-12(8-4-10)18(21)22/h1-8H
InChIKey: NXVIYWNQRSLRGX-UHFFFAOYSA-N
2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 2500mg/kg (2500mg/kg) | Pharmazie. Vol. 39, Pg. 858, 1984. |
2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole Safety Profile
Risk Statements: 20/21/22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36
S36:Wear suitable protective clothing.
2,5-Bis(4-nitrophenyl)-1,3,4-oxadiazole Specification
1,3,4-Oxadiazole,2,5-bis(4-nitrophenyl)- , its cas register number is 1044-49-1. It also can be called 2,5-Bis-(4-nitro-phenyl)-[1,3,4]oxadiazole ; 2,5-Di(4,2'-nitrophenyl)-1,3,4-oxadiazole ; and 2,5-di(4-nitrophenyl)-1,3,4-oxadiazole . Its classification code is Drug / Therapeutic Agent.
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