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59640

Sigma-Aldrich

Isopropyl nitrate

purum, ≥98.0% (GC)

Linear Formula:
(CH3)2CHONO2
CAS Number:
Molecular Weight:
105.09
Beilstein:
1701405
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

grade

purum

assay

≥98.0% (GC)

refractive index

n20/D 1.391 (lit.)
n20/D 1.391

bp

101-102 °C (lit.)

density

1.040 g/mL at 20 °C (lit.)

SMILES string

CC(C)O[N+]([O-])=O

InChI

1S/C3H7NO3/c1-3(2)7-4(5)6/h3H,1-2H3

InChI key

GAPFWGOSHOCNBM-UHFFFAOYSA-N

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General description

Isopropyl nitrate can be obtained by nitrating isopropyl alcohol with nitric acid and urea.

Application

Isopropyl nitrate is a monopropellant with large detonation length scale. This can increase the diagnostic resolution as a result of which it can be used as a substitute for nitromethane, to study homogenous liquid explosives. It can also be used in the synthesis of 1,2-dimethoxy-4-(nitromethyl)benzene, a nitro alkane derivative which can be converted to the corresponding carboxylic acid in a continuous flow reactor via Nef oxidation method.

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