-
Name
7-[4-(3-methylphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole 1-oxide
- EINECS
- CAS No. 61785-73-7
- Density 1.49g/cm3
- Solubility
- Melting Point
- Formula C17H17N5O4
- Boiling Point 599.7°C at 760 mmHg
- Molecular Weight 355.39
- Flash Point 316.5°C
- Transport Information
- Appearance
- Safety Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
7-(4-(3-Methylphenyl)-1-piperazinyl)-4-nitrobenzofurazan 1-oxide Chemical Properties
Product Name: 7-(4-(3-Methylphenyl)-1-piperazinyl)-4-nitrobenzofurazan 1-oxide (CAS NO.61785-73-7)
Molecular Formula: C17H17N5O4
Molecular Weight: 355.39g/mol
Boiling point: 599.7 °C at 760 mmHg
Flash Point: 316.5 °C
Density: 1.49 g/cm3
Surface Tension: 65.8 dyne/cm
Enthalpy of Vaporization: 89.28 kJ/mol
Vapour Pressure: 2.43E-14 mmHg at 25°C
XLogP3-AA: 3.3
H-Bond Donor: 0
H-Bond Acceptor: 7
IUPAC Name: 7-[4-(3-methylphenyl)piperazin-1-yl]-4-nitro-1-oxido-2,1,
3-benzoxadiazol-1-ium
Canonical SMILES: CC1=CC(=CC=C1)N2CCN(CC2)C3=CC=C(C4=NO[N+](=C34)[O-])[N+](=O)[O-]
InChI: InChI=1S/C17H17N5O4/c1-12-3-2-4-13(11-12)19-7-9-20(10-8-19)15-6-5-14(21
(23)24)16-17(15)22(25)26-18-16/h2-6,11H,7-10H2,1H3
InChIKey: IDMAMEWMDAMVFQ-UHFFFAOYSA-N
7-(4-(3-Methylphenyl)-1-piperazinyl)-4-nitrobenzofurazan 1-oxide Toxicity Data With Reference
| 1. | mmo-sat 60 µg/plate | MUREAV Mutation Research. 48 (1977),145. |
7-(4-(3-Methylphenyl)-1-piperazinyl)-4-nitrobenzofurazan 1-oxide Consensus Reports
EPA Genetic Toxicology Program.
7-(4-(3-Methylphenyl)-1-piperazinyl)-4-nitrobenzofurazan 1-oxide Safety Profile
Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
7-(4-(3-Methylphenyl)-1-piperazinyl)-4-nitrobenzofurazan 1-oxide Specification
7-(4-(3-Methylphenyl)-1-piperazinyl)-4-nitrobenzofurazan 1-oxide ,its CAS NO. is 61785-73-7,the synonyms is B2740 ; Benzofurazan, 7-(4-(m-tolyl)-1-piperazinyl)-4-nitro-, 1-oxide ; Benzofurazan, 7-(4-(3-methylphenyl)-1-piperazinyl)-4-nitro-, 1-oxide .
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