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Homecas118-96-7

118-96-7

118-96-7 structural image
Product Name: 2,4,6-Trinitrotoluene
Formula: C7H5N3O6
Synonyms: TNT
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Tnt, wetted with not less than 30% water appears as a slurry of a yellow water-insoluble crystalline solid. Can burn, although difficult to ignite. When water has been driven off or evaporated the residue is easily ignited, burns vigorously, and is highly explosive. Produces toxic oxides of nitrogen during combustion. May explode under exposure to intense heat. Primary hazard is blast of an explosion, not flying projectiles or fragments.
Color/Form Monoclinic rhombohedra from alc; commercial crystals (needles) are yellow
Odor Odorless
Boiling Point 464 °F at 760 mmHg EXPLODES (NTP, 1992)
Melting Point 177.6 °F (NTP, 1992)
Flash Point (Explodes) (NIOSH, 2023)
Solubility Insoluble (NTP, 1992)
Density 1.654 at 68 °F (NTP, 1992) - Denser than water; will sink
Vapor Density 7.85 (Air = 1)
Vapor Pressure 0.046 mmHg (NTP, 1992)
LogP 1.6
Decomposition Heat of decomposition was determined as 5.1 kJ/g.
Ionization Potential 10.59 eV
Kovats Retention Index 1704 1693
Other Experimental Properties Dipole moment 1.37
Chemical Classes Other Uses -> Explosives

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H225:Flammable liquids
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P337+P313:IF eye irritation persists: Get medical advice/attention.
P403+P235:Store in a well-ventilated place. Keep cool.

COMPUTED DESCRIPTORS

Molecular Weight 227.13 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 0
Exact Mass 227.01783489 g/mol
Monoisotopic Mass 227.01783489 g/mol
Topological Polar Surface Area 138 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 292
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

2,4,6-Trinitrotoluene is a yellow, odorless solid that does not occur naturally in the environment. It is commonly known as TNT and is an explosive used in military shells, bombs, and grenades, in industrial uses, and in underwater blasting. 2,4,6-Trinitrotoluene production in the United States occurs solely at military arsenals.