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612-28-2

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612-28-2 Usage

Uses

N-Methyl-2-nitroaniline was used in the determination of the polarities of ionic liquids using the Kamlet-Taft empirical polarity scales. It was also employed in characterization of the octadecyl-derivatized silica stationary phase and the corresponding mobile phases used in reversed-phase liquid chromatography.

Synthesis Reference(s)

Synthetic Communications, 21, p. 1889, 1991 DOI: 10.1080/00397919108021779

General Description

N-Methyl-2-nitroaniline is a solvatochromic dye.

Check Digit Verification of cas no

The CAS Registry Mumber 612-28-2 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 6,1 and 2 respectively; the second part has 2 digits, 2 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 612-28:
(5*6)+(4*1)+(3*2)+(2*2)+(1*8)=52
52 % 10 = 2
So 612-28-2 is a valid CAS Registry Number.
InChI:InChI=1/C7H8N2O2/c1-8-6-4-2-3-5-7(6)9(10)11/h2-5,8H,1H3

612-28-2 Well-known Company Product Price

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  • Alfa Aesar

  • (A19538)  N-Methyl-2-nitroaniline, 98%   

  • 612-28-2

  • 5g

  • 287.0CNY

  • Detail
  • Alfa Aesar

  • (A19538)  N-Methyl-2-nitroaniline, 98%   

  • 612-28-2

  • 25g

  • 947.0CNY

  • Detail
  • Alfa Aesar

  • (A19538)  N-Methyl-2-nitroaniline, 98%   

  • 612-28-2

  • 100g

  • 3494.0CNY

  • Detail

612-28-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name N-METHYL-2-NITROANILINE

1.2 Other means of identification

Product number -
Other names Benzenamine, N-methyl-2-nitro-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:612-28-2 SDS

612-28-2Relevant articles and documents

Deciphering the Influence of Meridional versus Facial Isomers in Spin Crossover Complexes

Lathion, Timothée,Guénée, Laure,Besnard, Céline,Bousseksou, Azzedine,Piguet, Claude

, p. 16873 - 16888 (2018)

Chelate coordination of non-symmetrical didentate pyrazine-benzimidazole (L1) or pyridine-benzimidazole (L2) N-donor ligands around divalent iron in acetonitrile produces stable homoleptic triple-helical spin crossover [Fe(Lk)3]2+ complexes existing as mixtures of meridional (C1-symmetry) and facial (C3-symmetry) isomers in slow exchange on the NMR timescale. The speciation deviates from the expected statistical ratio mer/fac=3:1, a trend assigned to the thermodynamic trans-influence, combined with solvation effects. Consequently, the observed spin state FeIIlow-spin?FeIIhigh-spin equilibria occurring in [Fe(Lk)3]2+ refer to mixtures of complexes in solution, an issue usually not considered in this field, but which limits rational structure-properties correlations. Taking advantage of the selective and quantitative formation of isostructural facial isomers in non-constrained related spin crossover d-f helicates (HHH)-[LnFe(Lk)3]5+ (Ln is a trivalent lanthanide, Lk=L5, L6), we propose a novel strategy for assigning pertinent thermodynamic driving forces to each spin crossover triple-helical isomer. The different enthalpic contributions to the spin state equilibrium found in mer-[Fe(Lk)3]2+ and fac-[Fe(Lk)3]2+ reflect the Fe?N bond strengths dictated by the trans-influence, whereas a concomitant solvent-based entropic contribution reinforces the latter effect and results in systematic shifts of the spin crossover transitions toward higher temperature in the facial isomers.

N-substituted benzimidazole acrylonitriles as in vitro tubulin polymerization inhibitors: Synthesis, biological activity and computational analysis

Perin,Hok,Be?,Persoons,Vanstreels,Daelemans,Vianello,Hranjec

, (2020/12/02)

We present the design, synthesis and biological activity of novel N-substituted benzimidazole based acrylonitriles as potential tubulin polymerization inhibitors. Their synthesis was achieved using classical linear organic and microwave assisted techniques, starting from aromatic aldehydes and N-substituted-2-cyanomethylbenzimidazoles. All newly prepared compounds were tested for their antiproliferative activity in vitro on eight human cancer cell lines and one reference non-cancerous assay. N,N-dimethylamino substituted acrylonitriles 30 and 41, bearing N-isobutyl and cyano substituents placed on the benzimidazole nuclei, showed strong and selective antiproliferative activity in the submicromolar range of inhibitory concentrations (IC50 0.2–0.6 μM), while being significantly less toxic than reference systems docetaxel and staurosporine, thus promoting them as lead compounds. Mechanism of action studies demonstrated that two most active compounds inhibited tubulin polymerization. Computational analysis confirmed the suitability of the employed benzimidazole-acrylonitrile skeleton for the binding within the colchicine binding site in tubulin, thus rationalizing the observed antitumor activities, and demonstrated that E-isomers are active substances. It also provided structural determinants affecting both the binding position and the matching affinities, identifying the attached NMe2 group as the most dominant in promoting the binding, which allows ligands to optimize favourable cation???π and hydrogen bonding interactions with Lys352.

HMOX1 inducers

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Page/Page column 159, (2020/09/18)

The present invention is related to compounds of structure (I) as heme oxygenase 1 (HMOX 1) inducers. The present invention is also related a method of controlling the activity or the amount, or both the activity and the amount, of heme-oxygenase 1 in a mammalian subject. The definitions of the variables are provided herein.

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