Home Nitro Compounds 99-52-5
99-52-5,MFCD00007734
Catalog No.:AA00IK4P

99-52-5 | 2-Methyl-4-nitroaniline

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5g
98%(HPLC)
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25g
>99.0%(GC)
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$53.00   $37.00
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100g
≥ 99% (GC)
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250g
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00IK4P
Chemical Name:
2-Methyl-4-nitroaniline
CAS Number:
99-52-5
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
MDL Number:
MFCD00007734
SMILES:
[O-][N+](=O)c1ccc(c(c1)C)N
UN Number:
2660
Properties
Computed Properties
 
Complexity:
155  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
XLogP3:
1.1  

Literature

Title: X-ray diffraction, vibrational and quantum chemical investigations of 2-methyl-4-nitroanilinium trichloroacetate trichloroacetic acid.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121101

Title: Vibrational analysis and valence force field for nitrotoluenes, dimethylanilines and some substituted methylbenzenes.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121001

Title: Strong enhancement of second harmonic generation in 2-methyl-4-nitroaniline nanofibers.

Journal: Nanoscale 20120821

Title: (E)-3-[(2-Methyl-4-nitro-phen-yl)imino-meth-yl]-1-benzothio-phene.

Journal: Acta crystallographica. Section E, Structure reports online 20120201

Title: 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.

Journal: The journal of physical chemistry. A 20110707

Title: Oriented single-crystal-like molecular arrangement of optically nonlinear 2-methyl-4-nitroaniline in electrospun nanofibers.

Journal: ACS nano 20110125

Title: Dynamical disorder in 2-methyl-4-nitroaniline and its deuterated analogue crystals studied by Fourier transform infrared and nuclear magnetic resonance.

Journal: The Journal of chemical physics 20091014

Title: On the electron density topology and electrostatic properties of nitroanilines. A theoretical investigation on m-nitroaniline and 2-methyl-5-nitroaniline crystals.

Journal: The journal of physical chemistry. A 20090827

Title: Bis(2-methyl-4-nitro-anilinium) tetra-chloridomercurate(II).

Journal: Acta crystallographica. Section E, Structure reports online 20081201

Title: 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)].

Journal: Acta crystallographica. Section E, Structure reports online 20080901

Title: ECVAM retrospective validation of in vitro micronucleus test (MNT).

Journal: Mutagenesis 20080701

Title: Low-temperature photoluminescence of p-nitroaniline and o-methyl-p-nitroaniline crystals.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070801

Title: Effective molecular polarizabilities and crystal refractive indices estimated from x-ray diffraction data.

Journal: The Journal of chemical physics 20061107

Title: Anisotropic displacement parameters for H atoms using an ONIOM approach.

Journal: Acta crystallographica. Section B, Structural science 20061001

Title: Reassessment of large dipole moment enhancements in crystals: a detailed experimental and theoretical charge density analysis of 2-methyl-4-nitroaniline.

Journal: The journal of physical chemistry. A 20060720

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Hydrogen bonding in isomorphous 2-methyl-4-nitroanilinium bromide and iodide.

Journal: Acta crystallographica. Section C, Crystal structure communications 20060501

Title: Accurate computation of the Briot-Sellmeier and Briot-Cauchy chromatic dispersion coefficients from the transmittance spectrum of thin films of arbitrary absorptance.

Journal: Journal of the Optical Society of America. A, Optics, image science, and vision 20020801

Title: Hydrogen bonding in C-methylated nitroanilines: the three-dimensional framework structure of 2-methyl-4-nitroaniline.

Journal: Acta crystallographica. Section C, Crystal structure communications 20010301

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