Home Nitros 2-Methyl-4-nitroaniline

2-Methyl-4-nitroaniline

CAS No.:
99-52-5
Catalog Number:
AG00IK7H
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$250
- +
Product Description
Catalog Number:
AG00IK7H
Chemical Name:
2-Methyl-4-nitroaniline
CAS Number:
99-52-5
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
MDL Number:
MFCD00007734
IUPAC Name:
2-methyl-4-nitroaniline
InChI:
InChI=1S/C7H8N2O2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,8H2,1H3
InChI Key:
XTTIQGSLJBWVIV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)C)N
EC Number:
202-762-1
UN Number:
2660
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
X-ray diffraction, vibrational and quantum chemical investigations of 2-methyl-4-nitroanilinium trichloroacetate trichloroacetic acid. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121101
Vibrational analysis and valence force field for nitrotoluenes, dimethylanilines and some substituted methylbenzenes. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121001
Strong enhancement of second harmonic generation in 2-methyl-4-nitroaniline nanofibers. Nanoscale 20120821
(E)-3-[(2-Methyl-4-nitro-phen-yl)imino-meth-yl]-1-benzothio-phene. Acta crystallographica. Section E, Structure reports online 20120201
Helical superstructure and charged polarons contributions to optical nonlinearity of 2-methyl-4-nitroaniline crystals studied by resonance Raman, electron paramagnetic resonance, circular dichroism spectroscopies, and quantum chemical calculations. The journal of physical chemistry. A 20110707
Oriented single-crystal-like molecular arrangement of optically nonlinear 2-methyl-4-nitroaniline in electrospun nanofibers. ACS nano 20110125
Dynamical disorder in 2-methyl-4-nitroaniline and its deuterated analogue crystals studied by Fourier transform infrared and nuclear magnetic resonance. The Journal of chemical physics 20091014
On the electron density topology and electrostatic properties of nitroanilines. A theoretical investigation on m-nitroaniline and 2-methyl-5-nitroaniline crystals. The journal of physical chemistry. A 20090827
Bis(2-methyl-4-nitro-anilinium) tetra-chloridomercurate(II). Acta crystallographica. Section E, Structure reports online 20081201
catena-Poly[[[diaqua-cobalt(II)]bis-(μ-1,3-di-4-pyridylpropane-κN:N')] bis-(perchlorate) bis-(1,3-di-4-pyridyl-propane) bis-(2-methyl-4-nitro-aniline)]. Acta crystallographica. Section E, Structure reports online 20080901
ECVAM retrospective validation of in vitro micronucleus test (MNT). Mutagenesis 20080701
Low-temperature photoluminescence of p-nitroaniline and o-methyl-p-nitroaniline crystals. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070801
Effective molecular polarizabilities and crystal refractive indices estimated from x-ray diffraction data. The Journal of chemical physics 20061107
Anisotropic displacement parameters for H atoms using an ONIOM approach. Acta crystallographica. Section B, Structural science 20061001
Reassessment of large dipole moment enhancements in crystals: a detailed experimental and theoretical charge density analysis of 2-methyl-4-nitroaniline. The journal of physical chemistry. A 20060720
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Hydrogen bonding in isomorphous 2-methyl-4-nitroanilinium bromide and iodide. Acta crystallographica. Section C, Crystal structure communications 20060501
Accurate computation of the Briot-Sellmeier and Briot-Cauchy chromatic dispersion coefficients from the transmittance spectrum of thin films of arbitrary absorptance. Journal of the Optical Society of America. A, Optics, image science, and vision 20020801
Hydrogen bonding in C-methylated nitroanilines: the three-dimensional framework structure of 2-methyl-4-nitroaniline. Acta crystallographica. Section C, Crystal structure communications 20010301
Properties