1,2,4-Oxadiazole, 5-methyl-3-(4-nitrophenyl)- supplier

Name
5-Methyl-3-(4-nitrophenyl)-1,2,4-oxadiazole
EINECS
CAS No. 25283-96-9
Article Data13
CAS DataBase
Density 1.349 g/cm³
Solubility
Melting Point
Formula C₉H₇N₃O₃
Boiling Point 376.5 °C at 760 mmHg
Molecular Weight 205.173
Flash Point 181.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Methyl-3-(4-nitro-phenyl)-[1,2,4]oxadiazole;5-Methyl-3-(4-nitrophenyl)-1,2,4-oxadiazole;
PSA 84.74000
LogP 2.47640

1,2,4-Oxadiazole, 5-methyl-3-(4-nitrophenyl)- Specification

The 1,2,4-Oxadiazole, 5-methyl-3-(4-nitrophenyl)-, with the CAS registry number 25283-96-9, is also known as 5-Methyl-3-(4-nitro-phenyl)-[1,2,4]oxadiazole. This chemical's molecular formula is C₉H₇N₃O₃ and molecular weight is 205.17. What's more, its systematic name is 5-methyl-3-(4-nitrophenyl)-1,2,4-oxadiazole.

Physical properties of 1,2,4-Oxadiazole, 5-methyl-3-(4-nitrophenyl)- are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)ACD/BCF (pH 5.5): 29.73; (6)ACD/BCF (pH 7.4): 29.73; (7)ACD/KOC (pH 5.5): 394.53; (8)ACD/KOC (pH 7.4): 394.53; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 84.74 Å²; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 50.69 cm³; (15)Molar Volume: 152 cm³; (16)Polarizability: 20.09×10^-24cm³; (17)Surface Tension: 56 dyne/cm; (18)Density: 1.349 g/cm³; (19)Flash Point: 181.5 °C; (20)Enthalpy of Vaporization: 59.96 kJ/mol; (21)Boiling Point: 376.5 °C at 760 mmHg; (22)Vapour Pressure: 1.57E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2ccc(c1nc(on1)C)cc2
(2)InChI: InChI=1S/C9H7N3O3/c1-6-10-9(11-15-6)7-2-4-8(5-3-7)12(13)14/h2-5H,1H3
(3)InChIKey: RSKNJQADPMXGLF-UHFFFAOYSA-N

Product Name

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

1,2,4-Oxadiazole, 5-methyl-3-(4-nitrophenyl)- Specification

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