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59640

Sigma-Aldrich

Isopropyl nitrate

purum, ≥98.0% (GC)

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About This Item

Linear Formula:
(CH3)2CHONO2
CAS Number:
1712-64-7
Molecular Weight:
105.09
Beilstein:
1701405
EC Number:
216-983-6
MDL number:
MFCD00007041
UNSPSC Code:
12352100
PubChem Substance ID:
329758690
NACRES:
NA.22

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.

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

51.8 °F - closed cup

Flash Point(C)

11 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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Certificates of Analysis (COA)

Lot/Batch Number
BCBS5316V
BCBS2981V
BCBR8140V
BCBQ8777V

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Shock initiation and detonability of isopropyl nitrate
Zhang F and Murray.BS
12th International Detonation Symposium. (2002)
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)
I Ahonen et al.
Toxicology letters, 47(2), 205-211 (1989-05-01)
Four healthy men were exposed to an isopropyl nitrate (IPN) concentration of 45.8 mg/m3 for 60 min. The IPN in the expired air, blood and urine of volunteers was analysed by gas chromatography. The longest elimination half-time of IPN by
Poppers-associated retinal toxicity.
Catherine Vignal-Clermont et al.
The New England journal of medicine, 363(16), 1583-1585 (2010-10-15)
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