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61785-72-6

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Basic Information
CAS No.: 61785-72-6
Name: 7-[4-(3-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole 1-oxide
Molecular Structure:
Molecular Structure of 61785-72-6 (7-[4-(3-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole 1-oxide)
Formula: C17H17N5O5
Molecular Weight: 371.39
Synonyms: B2772;
Density: 1.52g/cm3
Boiling Point: 617.4°C at 760 mmHg
Flash Point: 327.2°C
Safety: Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
PSA: 113.02000
LogP: 3.15290
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    7-(4-(3-METHOXYPHENYL)-1-PIPERAZINYL)-4-NITROBENZOFURAZAN-1-OXIDE

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  • 7-[4-(3-methoxyphenyl)piperazin-1-yl]-4-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium

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    61785-72-6

    7-[4-(3-methoxyphenyl)piperazin-1-yl]-4-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium

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    We are committed to providing our customers with the best products and services at the most competitive prices.Appearance:white crystalline powder Storage:Room temperature with sealed well Package:according to the clients requirement Application:Use

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  • Glycerides, lard mono-

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    Glycerides, lard mono-

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    Our own factory produces direct sales with absolute price advantage Application:Pharmaceutical industry Transportation:By sea Port:Shanghai/tianjin

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Chemistry

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

Toxicity Data With Reference

1.    

mmo-sat 100 µg/plate

     MUREAV    Mutation Research. 48 (1977),145.

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.