Home Nitros Benzenamine, N,N-dimethyl-4-nitro-

Benzenamine, N,N-dimethyl-4-nitro-

CAS No.:
100-23-2
Catalog Number:
AG00005M
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>98.0%(GC)(T)
1 week
United States
$99
- +
25g
>98.0%(GC)(T)
1 week
United States
$223
- +
Product Description
Catalog Number:
AG00005M
Chemical Name:
Benzenamine, N,N-dimethyl-4-nitro-
CAS Number:
100-23-2
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD00014712
IUPAC Name:
N,N-dimethyl-4-nitroaniline
InChI:
InChI=1S/C8H10N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6H,1-2H3
InChI Key:
QJAIOCKFIORVFU-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)[N+](=O)[O-])C
EC Number:
202-832-1
NSC Number:
9815
Properties
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Infrared electroabsorption spectroscopy of N,N-dimethyl-p-nitroaniline in acetonitrile/C2Cl4: solvation of the solute and self-association of acetonitrile. The journal of physical chemistry. A 20110505
Synchrotron powder diffraction characterization of the zeolite-based (p-N,N-dimethylnitroaniline-mordenite) guest-host phase. Acta crystallographica. Section B, Structural science 20081201
Raman spectroscopic study on the solvation of N,N-dimethyl-p-nitroaniline in room-temperature ionic liquids. The journal of physical chemistry. A 20070802
Molecular dynamics simulations of local field factors. The Journal of chemical physics 20070707
Study on the vibrational energy relaxation of p-nitroaniline, N,N-dimethyl-p-nitroaniline, and azulene by the transient grating method. The Journal of chemical physics 20061121
Determination of Kamlet-Taft solvent parameters pi* of high pressure and supercritical water by the UV-Vis absorption spectral shift of 4-nitroanisole. Physical chemistry chemical physics : PCCP 20060521
Excitation wavelength dependence of the Raman-Stokes shift of N,N-dimethyl-p-nitroaniline. The Journal of chemical physics 20060514
Toward the development of new photolabile protecting groups that can rapidly release bioactive compounds upon photolysis with visible light. The Journal of organic chemistry 20031031
Time-dependent density functional theory (TDDFT) study of the excited charge-transfer state formation of a series of aromatic donor-acceptor systems. Journal of the American Chemical Society 20030108
Electrostatic modulation by ionic aggregates: charge transfer transitions in solutions of lithium perchlorate-diethyl ether. Journal of the American Chemical Society 20020626
Photoinduced demethylation of 4-nitro-N,N-dimethylaniline. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20020401
Study on second harmonic generation of 9-benzylidene-substituted-10-methyl-9,10-dihydroacridines. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20011201
Properties