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489-98-5

489-98-5 structural image
Product Name: 2,4,6-TRINITROANILINE
Formula: C6H4N4O6
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 2,4,6-trinitroaniline appears as yellow monoclinic crystals. (NTP, 1992)
Boiling Point Explodes (NTP, 1992)
Melting Point 378 to 383 °F (NTP, 1992)
Solubility Insoluble (NTP, 1992)
Density 1.762 at 54 °F (NTP, 1992) - Denser than water; will sink
Ionization Efficiency Positive
Kovats Retention Index 337.56
Chemical Classes Other Uses -> Explosives

COMPUTED DESCRIPTORS

Molecular Weight 228.12 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 0
Exact Mass 228.01308386 g/mol
Monoisotopic Mass 228.01308386 g/mol
Topological Polar Surface Area 164 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 293
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-trinitroaniline appears as yellow monoclinic crystals. (NTP, 1992)