3,5-Bis(3-nitrophenyl)-1,2,4-oxadiazole supplier

Name
3,5-Bis(3-nitrophenyl)-1,2,4-oxadiazole
EINECS
CAS No. 74229-71-3
Article Data1
CAS DataBase
Density 1.466 g/cm³
Solubility
Melting Point
Formula C₁₄H₈N₄O₅
Boiling Point 523 °C at 760 mmHg
Molecular Weight 312.24
Flash Point 270.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2,4-oxadiazole, 3,5-bis(3-nitrophenyl)-;
PSA 130.56000
LogP 4.26640

3,5-Bis(3-nitrophenyl)-1,2,4-oxadiazole Specification

The 3,5-Bis(3-nitrophenyl)-1,2,4-oxadiazole, with the CAS registry number 74229-71-3, is also known as 1,2,4-Oxadiazole, 3,5-bis(3-nitrophenyl)-. This chemical's molecular formula is C₁₄H₈N₄O₅ and molecular weight is 312.24. What's more, its systematic name is also 3,5-bis(3-nitrophenyl)-1,2,4-oxadiazole.

Physical properties of 3,5-Bis(3-nitrophenyl)-1,2,4-oxadiazole are: (1)ACD/LogP: 3.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.97; (4)ACD/LogD (pH 7.4): 3.97; (5)ACD/BCF (pH 5.5): 613.72; (6)ACD/BCF (pH 7.4): 613.72; (7)ACD/KOC (pH 5.5): 3445.34; (8)ACD/KOC (pH 7.4): 3445.34; (9)#H bond acceptors: 9; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 130.56 Å²; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 77 cm³; (15)Molar Volume: 212.9 cm³; (16)Polarizability: 30.52×10^-24 cm³; (17)Surface Tension: 66.1 dyne/cm; (18)Density: 1.466 g/cm³; (19)Flash Point: 270.1 °C; (20)Enthalpy of Vaporization: 76.66 kJ/mol; (21)Boiling Point: 523 °C at 760 mmHg; (22)Vapour Pressure: 1.63E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: [O-][N+](=O)c3cccc(c1nc(no1)c2cc(ccc2)[N+]([O-])=O)c3
(2)InChI: InChI=1/C14H8N4O5/c19-17(20)11-5-1-3-9(7-11)13-15-14(23-16-13)10-4-2-6-12(8-10)18(21)22/h1-8H
(3)InChIKey: DLOMOIFOKNNPRG-UHFFFAOYAG

Product Name

3,5-Bis(3-nitrophenyl)-1,2,4-oxadiazole

3,5-Bis(3-nitrophenyl)-1,2,4-oxadiazole Specification

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