-
Name
N-[(1E)-(5-nitrofuran-2-yl)methylidene]-1H-benzimidazol-1-amine
- EINECS
- CAS No. 111041-98-6
- Density 1.48g/cm3
- Solubility
- Melting Point
- Formula C12H8 N4 O3
- Boiling Point 465.8°Cat760mmHg
- Molecular Weight 256.221
- Flash Point 235.5°C
- Transport Information
- Appearance
- Safety Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
N-((5-Nitro-2-furanyl)methylene)-1H-benzimidazol-1-amine Chemical Properties
Molecule structure of N-((5-Nitro-2-furanyl)methylene)-1H-benzimidazol-1-amine (CAS NO.111041-98-6):
IUPAC Name: N-(Benzimidazol-1-yl)-1-(5-nitrofuran-2-yl)methanimine
Molecular Weight: 256.21692 g/mol
Molecular Formula: C12H8N4O3
Density: 1.48 g/cm3
Boiling Point: 465.8 °C at 760 mmHg
Flash Point: 235.5 °C
Index of Refraction: 1.709
Molar Refractivity: 67.31 cm3
Molar Volume: 172.3 cm3
Polarizability: 26.68×10-24 cm3
Surface Tension: 66.1 dyne/cm
Enthalpy of Vaporization: 72.75 kJ/mol
Vapour Pressure: 7.45E-09 mmHg at 25 °C
XLogP3-AA: 2.7
H-Bond Acceptor: 5
Rotatable Bond Count: 2
Exact Mass: 256.05964
MonoIsotopic Mass: 256.05964
Topological Polar Surface Area: 86.5
Heavy Atom Count: 19
Complexity: 371
Canonical SMILES: C1=CC=C2C(=C1)N=CN2N=CC3=CC=C(O3)[N+](=O)[O-]
Isomeric SMILES: C1=CC=C2C(=C1)N=CN2/N=C/C3=CC=C(O3)[N+](=O)[O-]
InChI: InChI=1S/C12H8N4O3/c17-16(18)12-6-5-9(19-12)7-14-15-8-13-10-3-1-2-4-11(10)15/h1-8H/b14-7+
InChIKey of N-((5-Nitro-2-furanyl)methylene)-1H-benzimidazol-1-amine (CAS NO.111041-98-6): ZWNLFJDPEKIOMC-VGOFMYFVSA-N
N-((5-Nitro-2-furanyl)methylene)-1H-benzimidazol-1-amine Toxicity Data With Reference
| 1. | mic-sat 2 nmol/plate | EMMUEG Environmental and Molecular Mutagenesis. 26 (1995),86. | ||
| 2. | mic-sat 200 pmol/plate | MUREAV Mutation Research. 206 (1988),193. |
N-((5-Nitro-2-furanyl)methylene)-1H-benzimidazol-1-amine Safety Profile
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
N-((5-Nitro-2-furanyl)methylene)-1H-benzimidazol-1-amine Specification
N-((5-Nitro-2-furanyl)methylene)-1H-benzimidazol-1-amine (CAS NO.111041-98-6) is also named as BRN 5822606 ; 1H-Benzimidazol-1-amine, N-((5-nitro-2-furanyl)methylene)- .
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