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

Packsize	Purity	Availability	Price	Discounted Price
5g	98%	in stock	$25.00	$17.00
25g	98%	in stock	$26.00	$18.00
100g	98%	in stock	$81.00	$57.00
500g	98%	in stock	$265.00	$186.00

Description

• Catalog Number: AI65797
• Chemical Name: 2-Methyl-4-nitroaniline
• CAS Number: 99-52-5
• Molecular Formula: C7H8N2O2
• Molecular Weight: 152.15062
• MDL Number: MFCD00007734
• SMILES: O=N(=O)c1ccc(c(c1)C)N

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

• 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