Product Name

  • Name

    7-[4-(3-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole 1-oxide

  • EINECS
  • CAS No. 61785-72-6
  • Density 1.52g/cm3
  • Solubility
  • Melting Point
  • Formula C17H17N5O5
  • Boiling Point 617.4°C at 760 mmHg
  • Molecular Weight 371.39
  • Flash Point 327.2°C
  • Transport Information
  • Appearance
  • Safety Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 61785-72-6 (7-[4-(3-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole 1-oxide)
  • Hazard Symbols
  • Synonyms B2772;
  • PSA 113.02000
  • LogP 3.15290

7-(4-(3-Methoxyphenyl)-1-piperazinyl)-4-nitrobenzofurazan 1-oxide Chemical Properties

IUPAC Name: 7-[4-(3-Methoxyphenyl)piperazin-1-yl]-4-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium
Synonyms of 7-(4-(3-Methoxyphenyl)-1-piperazinyl)-4-nitrobenzofurazan 1-oxide (CAS NO.61785-72-6): Benzofurazan, 7-(4-(3-methoxyphenyl)-1-piperazinyl)-4-nitro-, 1-oxide
CAS NO: 61785-72-6
Molecular Formula: C17H17N5O5
Molecular Weight: 371.3474
Molecular Structure :
H bond acceptors: 10
H bond donors: 0
Freely Rotating Bonds: 4
Polar Surface Area: 111.67 Å2
Index of Refraction: 1.704
Molar Refractivity: 94.72 cm3
Molar Volume: 243.9 cm3
Surface Tension: 66 dyne/cm
Density: 1.52 g/cm3
Flash Point: 327.2 °C
Enthalpy of Vaporization: 91.55 kJ/mol
Boiling Point: 617.4 °C at 760 mmHg
Vapour Pressure: 3.59E-15 mmHg at 25°C
InChI: InChI=1/C17H17N5O5/c1-26-13-4-2-3-12(11-13)19-7-9-20(10-8-19)15-6-5-14(21(23)24)16-17(15)22(25)27-18-16/h2-6,11H,7-10H2,1H3
InChIKey: PEXDBFGSQYSJFM-UHFFFAOYAU
Std. InChI: InChI=1S/C17H17N5O5/c1-26-13-4-2-3-12(11-13)19-7-9-20(10-8-19)15-6-5-14(21(23)24)16-17(15)22(25)27-18-16/h2-6,11H,7-10H2,1H3
Std. InChIKey: PEXDBFGSQYSJFM-UHFFFAOYSA-N

7-(4-(3-Methoxyphenyl)-1-piperazinyl)-4-nitrobenzofurazan 1-oxide Toxicity Data With Reference

1.    

mmo-sat 100 µg/plate

     MUREAV    Mutation Research. 48 (1977),145.

7-(4-(3-Methoxyphenyl)-1-piperazinyl)-4-nitrobenzofurazan 1-oxide Safety Profile

Mutation data reported. When 7-(4-(3-Methoxyphenyl)-1-piperazinyl)-4-nitrobenzofurazan 1-oxide (CAS NO.61785-72-6) is heated to decomposition ,it emits toxic fumes of NOx.

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