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| Name |
N-((5-Nitro-2-furanyl)methylene)-1H-pyrazol-1-amine |
EINECS | N/A |
| CAS No. | 111070-55-4 | Density | 1.51g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C8H6 N4 O3 | Boiling Point | 381.6°Cat760mmHg |
| Molecular Weight | 206.161 | Flash Point | 184.6°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Mutation data reported. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
N-((5-Nitro-2-furanyl)methylene)-1H-pyrazol-1-amine Chemical Properties
Molecule structure of N-((5-Nitro-2-furanyl)methylene)-1H-pyrazol-1-amine (CAS NO.111070-55-4):
IUPAC Name: 1-(5-Nitrofuran-2-yl)-N-pyrazol-1-ylmethanimine
Molecular Weight: 206.15824 g/mol
Molecular Formula: C8H6N4O3
Density: 1.51 g/cm3
Boiling Point: 381.6 °C at 760 mmHg
Flash Point: 184.6 °C
Index of Refraction: 1.677
Molar Refractivity: 51.42 cm3
Molar Volume: 136.4 cm3
Polarizability: 20.38×10-24 cm3
Surface Tension: 68 dyne/cm
Enthalpy of Vaporization: 62.99 kJ/mol
Vapour Pressure: 5.01E-06 mmHg at 25 °C
XLogP3-AA: 1.5
H-Bond Acceptor: 5
Rotatable Bond Count: 2
Exact Mass: 206.04399
MonoIsotopic Mass: 206.04399
Topological Polar Surface Area: 86.5
Heavy Atom Count: 15
Complexity: 265
Canonical SMILES: C1=CN(N=C1)N=CC2=CC=C(O2)[N+](=O)[O-]
Isomeric SMILES: C1=CN(N=C1)/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI: InChI=1S/C8H6N4O3/c13-12(14)8-3-2-7(15-8)6-10-11-5-1-4-9-11/h1-6H/b10-6+
InChIKey of N-((5-Nitro-2-furanyl)methylene)-1H-pyrazol-1-amine (CAS NO.111070-55-4): DQXWSAXEIGMNAX-UXBLZVDNSA-N
N-((5-Nitro-2-furanyl)methylene)-1H-pyrazol-1-amine Toxicity Data With Reference
| 1. | mic-sat 2500 pmol/plate | EMMUEG Environmental and Molecular Mutagenesis. 26 (1995),86. | ||
| 2. | mic-sat 240 pmol/plate | MUREAV Mutation Research. 206 (1988),193. | ||
| 3. | slt-orl-uns-dmg 10 mmol/L | MUTAEX Mutagenesis. 4 (1989),105. |
N-((5-Nitro-2-furanyl)methylene)-1H-pyrazol-1-amine Safety Profile
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
N-((5-Nitro-2-furanyl)methylene)-1H-pyrazol-1-amine Specification
N-((5-Nitro-2-furanyl)methylene)-1H-pyrazol-1-amine (CAS NO.111070-55-4) is also named as (1-((5-Nitrofurfurylidene)amino)pyrazole) ; BRN 5816121 ; CCRIS 3518 ; 1H-Pyrazol-1-amine, N-((5-nitro-2-furanyl)methylene)- .
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