Crystal Growth & Design,
Год журнала:
2021,
Номер
21(12), С. 6872 - 6878
Опубликована: Ноя. 17, 2021
Fused-ring
energetic
materials
are
considered
to
be
promising
materials.
However,
their
practical
applications
usually
hindered
due
the
tedious
synthetic
routes.
In
this
work,
4-amino-3,8-dinitropyrazolo[5,1-c][1,2,4]triazin-7-ol
(4)
was
easily
prepared
within
three
straightforward
steps
starting
from
commercially
available
ethyl
cyanoglyoxylate
2-oxime
(1).
Compound
4
is
a
heat-resistant
explosive,
with
remarkable
thermal
stability
(decomposition
temperature
332
°C)
and
sensitivity
(burst
point
380
°C
at
5
s).
addition,
it
demonstrates
high
density
(1.88
g
cm–3),
good
detonation
velocity
(8538
m
s–1),
low
impact
friction
sensitivities
(IS
>
40
J;
FS
360
N).
Optimized
conditions
for
synthesis
of
have
also
been
investigated,
scale
10
could
over
one-batch
reaction
using
modified
path
overall
yield
(46%).
The
advanced
performance
scalable
production
make
bright
prospect
industrial
production.
Chemical Communications,
Год журнала:
2020,
Номер
56(10), С. 1493 - 1496
Опубликована: Янв. 1, 2020
Two
5,6-fused
tetrazolo-pyridazine
compounds
were
synthesized
and
characterized,
which
exhibited
high
thermal
stability,
excellent
energetic
properties
low
mechanical
sensitivity.
Journal of Chemical Information and Modeling,
Год журнала:
2023,
Номер
63(3), С. 753 - 769
Опубликована: Янв. 25, 2023
The
drop-weight
impact
test
is
an
experiment
that
has
been
used
for
nearly
80
years
to
evaluate
handling
sensitivity
of
high
explosives.
Although
the
results
this
are
known
have
large
statistical
uncertainties,
it
one
most
common
tests
due
its
accessibility
and
modest
material
requirements.
In
paper,
we
compile
a
data
set
(mainly
performed
at
Los
Alamos
National
Laboratory),
along
with
compendium
molecular
chemical
descriptors
explosives
under
test.
These
consist
over
500
unique
explosives,
1000
repeat
tests,
100
descriptors,
total
about
1500
observations.
We
use
random
forest
methods
estimate
model
explosive
as
function
properties
Our
predicts
well
across
wide
range
types,
spanning
broad
performance
sensitivity.
find
related
performance,
such
heat
explosion,
oxygen
balance,
functional
group,
highly
predictive
Yet,
models
omit
many
these
still
perform
well.
suggest
there
not
or
even
several
factors
explain
sensitivity,
but
complex,
interrelated
effects
play.
Crystal Growth & Design,
Год журнала:
2023,
Номер
23(5), С. 3463 - 3470
Опубликована: Апрель 21, 2023
In
recent
years,
the
safety
of
energetic
materials
has
attracted
more
and
attention.
How
to
design
synthesize
heat-resistant
insensitive
become
an
urgent
problem
be
solved.
this
work,
two
series
salts
based
on
isomeric
triamino
triazolo-triazine
fused-ring
compounds
were
designed
synthesized
by
incorporating
oxygen-rich
anions
(such
as
NO3–
or
ClO4–)
with
nitrogen-rich
cations.
All
new
fully
characterized
infrared
(IR)
spectroscopy,
nuclear
magnetic
resonance
(NMR),
elemental
analysis,
differential
scanning
calorimetry
(DSC).
Decomposition
temperatures
(Td)
perchlorate
3
9
are
315
364
°C,
respectively.
Their
different
properties,
densities
molecular
stabilities
rationally
explained
crystal
structures
packing
patterns.
Meanwhile,
highest
decomposition
temperature
good
detonation
performance
(D
=
8485
m
s–1,
P
27.7
GPa),
which
is
superior
HNS
PYX
suggests
that
it
could
applied
a
explosive.
