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Isopropyl nitrate

CAS No.:
1712-64-7
Catalog Number:
AG0038WX
Molecular Formula:
C3H7NO3
Molecular Weight:
105.0926
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(GC)
In Stock USA
United States
$112
- +
5g
98%(GC)
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG0038WX
Chemical Name:
Isopropyl nitrate
CAS Number:
1712-64-7
Molecular Formula:
C3H7NO3
Molecular Weight:
105.0926
MDL Number:
MFCD00007041
IUPAC Name:
propan-2-yl nitrate
InChI:
InChI=1S/C3H7NO3/c1-3(2)7-4(5)6/h3H,1-2H3
InChI Key:
GAPFWGOSHOCNBM-UHFFFAOYSA-N
SMILES:
CC(O[N+](=O)[O-])C
EC Number:
216-983-6
NSC Number:
88934
UN Number:
1222
Properties
Complexity:
65.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
105.043g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
105.093g/mol
Monoisotopic Mass:
105.043g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
A comparison of the decomposition of electronically excited nitro-containing molecules with energetic moieties C-NO2, N-NO2, and O-NO2. The Journal of chemical physics 20120114
Poppers-associated retinal toxicity. The New England journal of medicine 20101014
NO(2) quantum yields from ultraviolet photodissociation of methyl and isopropyl nitrate. Physical chemistry chemical physics : PCCP 20100621
NO donors. Part 16: investigations on structure-activity relationships of organic mononitrates reveal 2-nitrooxyethylammoniumnitrate as a high potent vasodilator. Bioorganic & medicinal chemistry letters 20071101
Products and mechanism of the reaction of OH radicals with 2,3,4-trimethylpentane in the presence of NO. Environmental science & technology 20041001
Vibrational analysis of isopropyl nitrate and isobutyl nitrate. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20021001
Analysis of C2-C4 peroxyacyl nitrates and C1-C5 alkyl nitrates with a non-polar capillary column. Journal of chromatography. A 20010427
Properties