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Name	N-((5-Nitro-2-furanyl)methylene)-1H-benzimidazol-1-amine	EINECS	N/A
CAS No.	111041-98-6	Density	1.48g/cm³
PSA	N/A	LogP	N/A
Solubility	N/A	Melting Point	N/A
Formula	C12H8 N4 O3	Boiling Point	465.8°Cat760mmHg
Molecular Weight	256.221	Flash Point	235.5°C
Transport Information	N/A	Appearance	N/A
Safety	Mutation data reported. When heated to decomposition it emits toxic vapors of NO_x.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	N/A

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 NO_x.

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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