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51-17-2

51-17-2 structural image
Product Name: Benzimidazole
Formula: C7H6N2
Synonyms: 1,3-Benzodiazole;Benzimidazole;BZI
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Benzimidazole appears as white tabular crystals. (NTP, 1992)
Color/Form RHOMBIC, BIPYRAMIDAL PLATES IN WATER
Boiling Point greater than 680 °F at 760 mmHg (NTP, 1992)
Melting Point 338 to 342 °F (NTP, 1992)
Solubility >17.7 [ug/mL] (The mean of the results at pH 7.4)
Vapor Pressure 0.0000764 [mmHg]
LogP 1.32
Stability/Shelf Life HIGH DEGREE OF CHEMICAL STABILITY
Decomposition DANGEROUS; WHEN HEATED TO DECOMPOSITION, IT EMITS HIGHLY TOXIC FUMES.
pH Weak base
Ionization Efficiency Positive
Dissociation Constants 5.3 (at 25 °C)
Kovats Retention Index 1430.5
Other Experimental Properties Dipole moment: 3.93 (Dioxane)
Chemical Classes Pesticides -> Fungicides

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 118.14 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 118.053098200 g/mol
Monoisotopic Mass 118.053098200 g/mol
Topological Polar Surface Area 28.7 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 103
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Benzimidazole appears as white tabular crystals. (NTP, 1992)

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