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100-23-2,MFCD00014712
Catalog No.:AA00002U
Benzenamine, N,N-dimethyl-4-nitro- | 100-23-2
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00002U
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
Computed 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  

Synonyms
 
N,N-dimethyl-4-nitroaniline 
N,N-dimethyl-p-nitroaniline 
1-(Dimethylamino)-4-nitrobenzene 
4-(Dimethylamino)nitrobenzene 
p-(Dimethylamino)nitrobenzene 
N,N-DIMETHYL-P-NITROANILINE 
Aniline, N,N-dimethyl-p-nitro- 
NSC 9815 
EINECS 202-832-1 
MFCD00014712 
AI3-08886 
QJAIOCKFIORVFU-UHFFFAOYSA-N 
p-N,N-dimethylnitroaniline 
NSC9815 
PubChem21649 
ACMC-1BVPR 
AC1L1OVP 
AC1Q1ZI4 
AC1Q3W7E 
dimethyl(4-nitrophenyl)amine 
Aniline,N-dimethyl-p-nitro- 
SCHEMBL218018 
dimethyl-(4-nitrophenyl)-amine 
N,N-Dimethyl-4-nitroaniline 
1-Dimethylamino-4-nitro-benzen 
CHEMBL3098161 
DTXSID4059209 
n,n-dimethyl-4-nitro-benzenamin 
N,N-Dimethyl-4-nitrobenzenamine 
1-Dimethylamino-4-nitro-benzene 
Benzenamine,N-dimethyl-4-nitro- 
CTK0H5815 
dimethyl-(4-nitro-phenyl)-amine 
benzenamine,n,n-dimethyl-4-nitro- 
100-23-2 
NSC-9815 
ZINC3852228 
ANW-14193 
BBL000682 
STK367079 
4 - Nitro - N,N - dimethylaniline 
N,N-dimethyl-N-(4-nitrophenyl)amine 
AKOS003236433 
MCULE-9184385846 
NCGC00342065-01 
4-Nitro-N,N-dimethylaniline 
AJ-45926 
LS-19760 
DB-003081 
TC-102938 
D0760 
D1311 
FT-0629510 
ST24048210 
ST50405542 
T7253 
Benzenamine, N,N-dimethyl-4-nitro- 
Z3701 
AB01334117-02 
I01-8084 
J-000067 
InChI=1/C8H10N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6H,1-2H 
N,N-dimethyl-4-nitroanilin 
C8H10N2O2 
CID7491 
AR-1K2431 
C8-H10-N2-O2 
4-Nitrodimethylaniline 
ACN-050348 
1293-87-4 
p-Nitro-N,N-dimethylaniline 
p-Nitrodimethylaniline 
Literature

Title: Infrared electroabsorption spectroscopy of N,N-dimethyl-p-nitroaniline in acetonitrile/C2Cl4: solvation of the solute and self-association of acetonitrile.

Journal: The journal of physical chemistry. A 20110505

Title: Synchrotron powder diffraction characterization of the zeolite-based (p-N,N-dimethylnitroaniline-mordenite) guest-host phase.

Journal: Acta crystallographica. Section B, Structural science 20081201

Title: Raman spectroscopic study on the solvation of N,N-dimethyl-p-nitroaniline in room-temperature ionic liquids.

Journal: The journal of physical chemistry. A 20070802

Title: Molecular dynamics simulations of local field factors.

Journal: The Journal of chemical physics 20070707

Title: Study on the vibrational energy relaxation of p-nitroaniline, N,N-dimethyl-p-nitroaniline, and azulene by the transient grating method.

Journal: The Journal of chemical physics 20061121

Title: Determination of Kamlet-Taft solvent parameters pi* of high pressure and supercritical water by the UV-Vis absorption spectral shift of 4-nitroanisole.

Journal: Physical chemistry chemical physics : PCCP 20060521

Title: Excitation wavelength dependence of the Raman-Stokes shift of N,N-dimethyl-p-nitroaniline.

Journal: The Journal of chemical physics 20060514

Title: Toward the development of new photolabile protecting groups that can rapidly release bioactive compounds upon photolysis with visible light.

Journal: The Journal of organic chemistry 20031031

Title: Time-dependent density functional theory (TDDFT) study of the excited charge-transfer state formation of a series of aromatic donor-acceptor systems.

Journal: Journal of the American Chemical Society 20030108

Title: Electrostatic modulation by ionic aggregates: charge transfer transitions in solutions of lithium perchlorate-diethyl ether.

Journal: Journal of the American Chemical Society 20020626

Title: Photoinduced demethylation of 4-nitro-N,N-dimethylaniline.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20020401

Title: Study on second harmonic generation of 9-benzylidene-substituted-10-methyl-9,10-dihydroacridines.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20011201

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