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)