102169-44-8

Basic information

• Product Name: 4-broMo-5-Methylbenzene-1,2-diaMine
• Synonyms: 4-broMo-5-Methylbenzene-1,2-diaMine;1,2-BenzenediaMine, 4-broMo-5-Methyl-;4-Bromo-5-methyl-1,2-benzenediamine
• CAS NO: 102169-44-8
• Molecular Formula: C₇H₉BrN₂
• Molecular Weight: 201.06376
• Mol File: 102169-44-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 298.6±35.0 °C(Predicted)
• Appearance: /
• Density: 1.589±0.06 g/cm3(Predicted)
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: 3.58±0.10(Predicted)
• CAS DataBase Reference: 4-broMo-5-Methylbenzene-1,2-diaMine(CAS DataBase Reference)
• NIST Chemistry Reference: 4-broMo-5-Methylbenzene-1,2-diaMine(102169-44-8)
• EPA Substance Registry System: 4-broMo-5-Methylbenzene-1,2-diaMine(102169-44-8)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• WGK Germany: 3
• Hazardous Substances Data: 102169-44-8(Hazardous Substances Data)

Usage

General Description

4-Bromo-5-methylbenzene-1,2-diamine is a chemical compound that belongs to the class of benzene derivatives with the molecular formula C7H9BrN2. It is also known by the trade name Bronopol and is commonly used as a preservative and antimicrobial agent in personal care products and industrial applications. 4-Bromo-5-methylbenzene-1,2-diamine has a wide range of antimicrobial activity and is effective against bacteria, fungi, and yeasts. It works by disrupting the cell membrane and inhibiting the growth and reproduction of microorganisms. However, it is important to handle this chemical with caution as it has been associated with skin irritation and allergic reactions in some individuals.

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Relevant articles and documents

Benzo[c][1,2,5]thiadiazole Donor-Acceptor Dyes: A Synthetic, Spectroscopic, and Computational Study

The synthesis, optical characterization and computational modeling of seven benzo[c][1,2,5]thiadiazole (BTD) donor-acceptor dyes are reported. These dyes have been studied using electrochemical analysis, electronic absorption, emission, and Raman and resonance Raman spectroscopies coupled with various density functional theoretical approaches. Crystal structure geometries on a number of these compounds are also reported. The optical spectra are dominated by low energy charge-transfer states; this may be modulated by the coupling between donor and acceptor through variation in donor energy, variation of the donor-acceptor torsion angle, and incorporation of an insulating bridge. These modifications result in a perturbation of the excitation energy for this charge-transfer transition of up to ～2000 cm-1. Emission spectra exhibit significant solvatochromisim, with Lippert-Mataga analysis yielding Δμ between 8 and 33 D. Predicted λmax, ε, and Raman cross sections calculated by M06L, B3LYP, PBE0, M06, CAM-B3LYP, and ωB97XD DFT functionals were compared to experimental results and analyzed using multivariate analysis, which shows that hybrid functionals with 20-27% HF best predict ground state absorption, while long-range corrected functionals best predict molecular polarizabilities.

Heterocyclic amide derivatives as RXR agonists for the treatment of dyslipidemia, hypercholesterolemia and diabetes

The present invention relates to compounds of Formula (I), methods for preparing these compounds, compositions, intermediates and derivatives thereof and for treating RXR mediated disorders. More particularly, the compounds of the present invention are RXR agonists useful for treating RXR mediated disorders.