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About This Item
Linear Formula:
(CH3)2CHONO2
CAS Number:
Molecular Weight:
105.09
Beilstein/REAXYS Number:
1701405
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
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.
signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
3 - Flammable liquids
wgk_germany
WGK 3
flash_point_f
51.8 °F - closed cup
flash_point_c
11 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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Spyra W and Winkelmann K
The Conversion of Liquid Rocket Fuels, 162 (2006)
"KMnO4-mediated oxidation as a continuous flow process"
Sedelmeier J, et al.
Organic Letters, 12(16), 3618- 3621 (2002)
Poppers-associated retinal toxicity.
Catherine Vignal-Clermont et al.
The New England journal of medicine, 363(16), 1583-1585 (2010-10-15)
Shock initiation and detonability of isopropyl nitrate
Zhang F and Murray.BS
12th International Detonation Symposium. (2002)
Ryan P McLaughlin et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 58(12), 2571-2580 (2002-10-25)
Raman and infrared spectra of isopropyl nitrate and isobutyl nitrate are reported. These spectra are used in combination with computational studies employing density functional theory at the B3-LYP/6-31G* level to assign the vibrational transitions to their corresponding normal coordinates. Similar
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