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Home Nitros Benzene, 1-azido-3-nitro-

Benzene, 1-azido-3-nitro-

CAS No.:
1516-59-2
Catalog Number:
AG001NFM
Molecular Formula:
C6H4N4O2
Molecular Weight:
164.1216
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
1 week
United States
$128
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Product Description
Catalog Number:
AG001NFM
Chemical Name:
Benzene, 1-azido-3-nitro-
CAS Number:
1516-59-2
Molecular Formula:
C6H4N4O2
Molecular Weight:
164.1216
MDL Number:
MFCD00624096
IUPAC Name:
1-azido-3-nitrobenzene
InChI:
InChI=1S/C6H4N4O2/c7-9-8-5-2-1-3-6(4-5)10(11)12/h1-4H
InChI Key:
AMLBZFBNQYJIRI-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.033g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.124g/mol
Monoisotopic Mass:
164.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Photoaffinity labeling via nitrenium ion chemistry: protonation of the nitrene derived from 4-amino-3-nitrophenyl azide to afford reactive nitrenium ion pairs. Journal of the American Chemical Society 20090819
Time-resolved resonance Raman observation of the dimerization of didehydroazepines in solution. The journal of physical chemistry. A 20080221
Lifetimes and reactivities of some 1,2-didehydroazepines commonly used in photoaffinity labeling experiments in aqueous solutions. Biochemistry 20060117
Regioselective synthesis of 1,2,3-triazole derivatives via 1,3-dipolar cycloaddition reactions in water. Chemical communications (Cambridge, England) 20031007
Properties