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1H-benzimidazole

Catalog Number
ACM51172
Product Name
1H-benzimidazole
Structure
CAS
51-17-2
Category
Electroluminescence Materials
Description
Benzimidazole appears as white tabular crystals. (NTP, 1992)
IUPAC Name
1H-benzimidazole
Molecular Weight
118.14g/mol
Molecular Formula
C7H6N2;C7H6N2
Canonical SMILES
C1=CC=C2C(=C1)NC=N2
InChI
InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
InChI Key
HYZJCKYKOHLVJF-UHFFFAOYSA-N
Boiling Point
greater than 680 °F at 760 mm Hg (NTP, 1992);>360 °C;>360 °C
Melting Point
338 to 342 °F (NTP, 1992);170.5 °C;170.5 °C
Purity
98%
Density
1.242 g/cm³
Solubility
less than 1 mg/mL at 63° F (NTP, 1992);0.02 M;Freely soluble in alcohol, sparingly soluble in ether. Practically insoluble in benzene, petroleum ether. One gram dissolves in 2 g boiling xylene. Soluble in aqueous solutions of acids and strong alkalis.;In water, 2.01X10+3 mg/l @ 30 °C;>17.7 [ug/mL]
Appearance
White solid
Color/Form
RHOMBIC, BIPYRAMIDAL PLATES IN WATER;Tabular crystals;Othrorombic and monoclinic modifications
Complexity
103
Covalently-Bonded Unit Count
1
EC Number
200-081-4
Exact Mass
118.053098g/mol
Formal Charge
0
Heavy Atom Count
9
Log P
1.32 (LogP);log Kow= 1.32
MeSH Entry Terms
benzimidazole;benzimidazole monohydrochloride;benzimidazole mononitrate
Monoisotopic Mass
118.053098g/mol
NSC Number
759
Other Experimental
Dipole moment: 3.93 (Dioxane)
Rotatable Bond Count
0
Stability
HIGH DEGREE OF CHEMICAL STABILITY
UNII
E24GX49LD8
XLogP3
1.3
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