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CAS No.: | 1044-49-1 |
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Name: | 2,5-BIS(4-NITROPHENYL)-1,3,4-OXADIAZOLE |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C14H8 N4 O5 |
Molecular Weight: | 312.241 |
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; |
Density: | 1.466 g/cm3 |
Melting Point: | 310-312°C |
Boiling Point: | 537.7 °C at 760 mmHg |
Flash Point: | 279 °C |
Risk Codes: | 20/21/22 |
Safety: | 36 |
PSA: | 130.56000 |
LogP: | 4.26640 |
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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
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 2500mg/kg (2500mg/kg) | Pharmazie. Vol. 39, Pg. 858, 1984. |
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.
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.