Product Name

  • Name

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

  • EINECS
  • CAS No. 10364-69-9
  • Density 1.3 g/cm3
  • Solubility
  • Melting Point
  • Formula C10H9N3O3
  • Boiling Point 376.469 °C at 760 mmHg
  • Molecular Weight 219.2
  • Flash Point 181.483 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 10364-69-9 (5-Ethyl-3-(3-nitrophenyl)-1,2,4-oxadiazole)
  • Hazard Symbols
  • Synonyms 3-m-Nitrophenyl-5-ethyl-1,2,4-oxadiazol;5-ethyl-3-(3-nitro-phenyl)-[1,2,4]oxadiazole;5-Aethyl-3-<3-nitro-phenyl>-1,2,4-oxdiazol;
  • PSA 84.74000
  • LogP 2.73040

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

The IUPAC name of this chemical is 5-Ethyl-3-(3-nitrophenyl)-1,2,4-oxadiazolethe. The CAS registry number is 65505-18-2 . In addition, the formula is C10H9N3O3 and the molecular weight is 219.1968. It should be stored in a cool environment.

Physical properties about this chemical are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.581; (4)ACD/LogD (pH 7.4): 2.581; (5)ACD/BCF (pH 5.5): 53.868; (6)ACD/BCF (pH 7.4): 53.868; (7)ACD/KOC (pH 5.5): 603.811; (8)ACD/KOC (pH 7.4): 603.811; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 84.74 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 55.422 cm3; (15)Molar Volume: 168.619 cm3; (16)Polarizability: 21.971 ×10-24cm3; (17)Surface Tension: 53.011 dyne/cm; (18)Density: 1.3 g/cm3; (19)Flash Point: 181.483 °C; (20)Enthalpy of Vaporization: 59.964 kJ/mol; (21)Boiling Point: 376.469 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCc1nc(no1)c2cccc(c2)[N+](=O)[O-]
(2)InChI: InChI=1/C10H9N3O3/c1-2-9-11-10(12-16-9)7-4-3-5-8(6-7)13(14)15/h3-6H,2H2,1H3
(3)InChIKey: MPQWRVZHBRBTEK-UHFFFAOYAM

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