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77-81-6

77-81-6 structural image
Product Name: tabun
Formula: C5H11N2O2P
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Tabun is a colorless to brown liquid with a faint fruity odor. Used as a chemical warfare agent.
Color/Form Liquid
Odor The industrial product has a weak sweetish smell; in small concentrations, it smells of fruit, but in large concentrations, it smells of fish
Boiling Point 464 °F at 760 mmHg (EPA, 1998)
Melting Point -58 °F (EPA, 1998)
Flash Point 172 °F (EPA, 1998)
Solubility Readily soluble in organic solvents.
Density 1.073 (EPA, 1998) - Denser than water; will sink
Vapor Density 5.63 (EPA, 1998) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 0.07 mmHg at 77 °F (EPA, 1998)
LogP log Kow = 0.38
Decomposition When heated to decomp, can emit highly toxic fumes of /phosphorus oxides .../.
Refractive Index Index of refraction: 1.4250 at 20 °C/D
Relative Evaporation Rate Evaporates about 20 times more slowly than water
Kovats Retention Index 1131
Other Experimental Properties Bleaching powder destroys tabun, but gives rise to cyanogen chloride.
Chemical Classes Toxic Gases & Vapors -> Chemical Weapons

COMPUTED DESCRIPTORS

Molecular Weight 162.13 g/mol
XLogP3 0.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 162.05581460 g/mol
Monoisotopic Mass 162.05581460 g/mol
Topological Polar Surface Area 53.3 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 193
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Tabun is a colorless to brown liquid with a faint fruity odor. Used as a chemical warfare agent.

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