Isopropyl nitrate

CAT: 0024-sc-396806Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-396806Size:100 mg

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CAS Number

1712-64-7

Chemical Information

Isopropyl nitrate

Isopropyl nitrate appears as a clear colorless liquid with a pleasant odor. May spontaneously decompose and explode under prolonged exposure to fire or heat. Denser than water and insoluble in water. Vapors are heavier than air. Produces toxic oxides of nitrogen during combustion.

CAS Number	1712-64-7
PubChem CID	15575
IUPAC Name	propan-2-yl nitrate
Molecular Formula	C3H7NO3
Molecular Weight	105.09
XLogP	1.3
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	7
Formal Charge	0
Complexity	65

SMILES

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

InChI

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

InChIKey

GAPFWGOSHOCNBM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1712-64-7

CID: 15575

Formula: C3H7NO3

MW: 105.09

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	105.09
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	105.042593085
Monoisotopic Mass	105.042593085
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	65.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
280656-01	Isopropyl nitrate discontinued
I10540-01	Isopropyl nitrate 98%
PN20010F	Reagecon Silver Nitrate 0.01M (0.01N) in Isopropyl Alcohol Analytical Volumetric Solution (AVL) Non Aqueous Titrant
3121830	Cupric nitrate (Copper nitrate)
3121650	Cobalt nitrate (Cobaltous nitrate)
3121720	Copper nitrate (Cupric nitrate)
AR-I01813-01	Isoconazole Nitrate EP Impurity C Nitrate (Miconazole Nitrate)
3122385	Ferric nitrate (Iron [III] nitrate)
AR-M01780-01	Miconazole Nitrate Impurity C Nitrate
1131280 100	Mercurous Nitrate Dihydrate (Mercury (I) Nitrate)

Isopropyl nitrate

Chemical Information

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