Name: 2,1,3-Benzoxadiazol-4-amine, N-[(4-methoxyphenyl)methyl]-7-nitro-
SKU: 33984-50-8

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Basic Information

Molecular Structure:
CAS No.:	33984-50-8
Name:	2,1,3-Benzoxadiazol-4-amine, N-[(4-methoxyphenyl)methyl]-7-nitro-

Formula:	C₁₄H₁₂N₄O₄
Molecular Weight:	300.274
Synonyms:	7-(4-methoxybenzylamino)-4-nitrobenzoxadiazole;7-(p-methoxybenzylamine)4-nitrobenzoxadiazole;7-(p-methoxybenzylamino)-4-nitrobenzoxadiazole
EINECS:	251-775-9
Density:	1.438 g/cm³
Melting Point:	178-182 °C
Boiling Point:	500.8 °C at 760 mmHg
Flash Point:	256.7 °C
Appearance:	colorless crystalline
Safety:	22-24/25
PSA:	106.00000
LogP:	3.34790

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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