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Butyl Nitrite

CAS No.:
544-16-1
Catalog Number:
AG0034KO
Molecular Formula:
C4H9NO2
Molecular Weight:
103.1198
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10g
95%
In Stock USA
United States
$61
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Product Description
Catalog Number:
AG0034KO
Chemical Name:
Butyl Nitrite
CAS Number:
544-16-1
Molecular Formula:
C4H9NO2
Molecular Weight:
103.1198
MDL Number:
MFCD00002058
IUPAC Name:
butyl nitrite
InChI:
InChI=1S/C4H9NO2/c1-2-3-4-7-5-6/h2-4H2,1H3
InChI Key:
JQJPBYFTQAANLE-UHFFFAOYSA-N
SMILES:
CCCCON=O
EC Number:
208-862-1
UNII:
44P8QG0F3T
NSC Number:
8426
UN Number:
2351
Properties
Complexity:
47  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
103.063g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
103.121g/mol
Monoisotopic Mass:
103.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Kinetics of n-butoxy and 2-pentoxy isomerization and detection of primary products by infrared cavity ringdown spectroscopy. The journal of physical chemistry. A 20120621
Post-translational modification in the gas phase: mechanism of cysteine S-nitrosylation via ion-molecule reactions. Rapid communications in mass spectrometry : RCM 20111115
Nitric oxide-releasing ruthenium nanoparticles. Chemical communications (Cambridge, England) 20111014
Chemoselective nitration of phenols with tert-butyl nitrite in solution and on solid support. Organic letters 20090917
Photolysis of n-butyl nitrite and isoamyl nitrite at 355 nm: a time-resolved Fourier transform infrared emission spectroscopy and ab initio study. The Journal of chemical physics 20090507
Photodissociation dynamics of alkyl nitrites at 266 and 355 nm: the OH product channel. The journal of physical chemistry. A 20090409
O,O'-Diethyl {(Z)-[(2-chloro-phen-yl)(cyano)methyl-ene]amino-oxy}thio-phospho-nate. Acta crystallographica. Section E, Structure reports online 20090401
Vibrational analysis of n-butyl, isobutyl, sec-butyl and tert-butyl nitrite. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070501
Synthesis of peroxynitrite using isoamyl nitrite and hydrogen peroxide in a homogeneous solvent system. Analytical biochemistry 20060715
Aphrodisiac drug-induced hemolysis. Journal of toxicology. Clinical toxicology 20040101
Synthesis of N-substituted N-nitrosohydroxylamines as inhibitors of mushroom tyrosinase. Bioorganic & medicinal chemistry 20010501
Properties