Product Name

  • Name

    2,1,3-Benzoxadiazol-4-amine, N-[(4-methoxyphenyl)methyl]-7-nitro-

  • EINECS 251-775-9
  • CAS No. 33984-50-8
  • Density 1.438 g/cm3
  • Solubility
  • Melting Point 178-182 °C
  • Formula C14H12N4O4
  • Boiling Point 500.8 °C at 760 mmHg
  • Molecular Weight 300.274
  • Flash Point 256.7 °C
  • Transport Information
  • Appearance colorless crystalline
  • Safety 22-24/25
  • Risk Codes
  • Molecular Structure Molecular Structure of 33984-50-8 (2,1,3-Benzoxadiazol-4-amine, N-[(4-methoxyphenyl)methyl]-7-nitro-)
  • Hazard Symbols
  • Synonyms 7-(4-methoxybenzylamino)-4-nitrobenzoxadiazole;7-(p-methoxybenzylamine)4-nitrobenzoxadiazole;7-(p-methoxybenzylamino)-4-nitrobenzoxadiazole
  • PSA 106.00000
  • LogP 3.34790

7-(4-Methoxybenzylamino)-4-nitrobenzoxadiazole Specification

This chemical is called 7-(4-Methoxybenzylamino)-4-nitrobenzoxadiazole, and it's also named as s-Benzofurazanamine, N-((4-methoxyphenyl)methyl)-7-nitro. With the molecular formula of C14H12N4O4, its CAS registry is 33984-50-8. Additionally, it should be sealed in the cool and dry place with the temperature of  -20°C.

Other characteristics of the 7-(4-Methoxybenzylamino)-4-nitrobenzoxadiazole can be summarised as followings: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 2.96; (5)ACD/BCF (pH 5.5): 104.77; (6)ACD/BCF (pH 7.4): 104.77; (7)ACD/KOC (pH 5.5): 972.04; (8)ACD/KOC (pH 7.4): 972.04; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 97.21 Å2; (13)Index of Refraction: 1.691; (14)Molar Refractivity: 79.89 cm3; (15)Molar Volume: 208.7 cm3; (16)Polarizability: 31.67×10-24cm3; (17)Surface Tension: 66.6 dyne/cm; (18)Density: 1.438 g/cm3; (19)Flash Point: 256.7 °C; (20)Enthalpy of Vaporization: 76.95 kJ/mol; (21)Boiling Point: 500.8 °C at 760 mmHg; (22)Vapour Pressure: 3.67E-10 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: Do not breathe dust. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure: 
1.SMILES: [O-][N+](=O)c1ccc(c2nonc12)NCc3ccc(OC)cc3
2.InChI: InChI=1/C14H12N4O4/c1-21-10-4-2-9(3-5-10)8-15-11-6-7-12(18(19)20)14-13(11)16-22-17-14/h2-7,15H,8H2,1H3
3.InChIKey: IENONFJSMWUIQQ-UHFFFAOYAP

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