Cas no 1311197-92-8 (4-Bromo-N-methyl-2-nitro-5-propoxyaniline)

4-Bromo-N-methyl-2-nitro-5-propoxyaniline structure
1311197-92-8 structure
Product Name:4-Bromo-N-methyl-2-nitro-5-propoxyaniline
CAS No:1311197-92-8
MF:C10H13BrN2O3
MW:289.125821828842
MDL:MFCD19237156
CID:1025088
PubChem ID:54759064
Update Time:2025-10-29

4-Bromo-N-methyl-2-nitro-5-propoxyaniline Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-N-methyl-2-nitro-5-propoxyaniline
    • 1311197-92-8
    • A888578
    • MFCD19237156
    • Benzenamine, 4-bromo-N-methyl-2-nitro-5-propoxy-
    • AKOS015908451
    • BS-20481
    • DTXSID50716669
    • CS-0444548
    • MDL: MFCD19237156
    • Inchi: 1S/C10H13BrN2O3/c1-3-4-16-10-6-8(12-2)9(13(14)15)5-7(10)11/h5-6,12H,3-4H2,1-2H3
    • InChI Key: NYYVMSMXUAAYKO-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C(=CC=1OCCC)NC)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 288.01100
  • Monoisotopic Mass: 288.01095g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 235
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.8
  • Topological Polar Surface Area: 67.1?2

Experimental Properties

  • PSA: 67.08000
  • LogP: 3.78400

4-Bromo-N-methyl-2-nitro-5-propoxyaniline Customs Data

  • HS CODE:2922299090
  • Customs Data:

    China Customs Code:

    2922299090

    Overview:

    2922299090. Other amino groups(naphthol\phenol)And ether\Esters [including their salts, Except those containing more than one oxygen-containing group]. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Summary:

    2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

4-Bromo-N-methyl-2-nitro-5-propoxyaniline Pricemore >>

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Additional information on 4-Bromo-N-methyl-2-nitro-5-propoxyaniline

Comprehensive Guide to 4-Bromo-N-methyl-2-nitro-5-propoxyaniline (CAS No. 1311197-92-8): Properties, Applications, and Market Insights

4-Bromo-N-methyl-2-nitro-5-propoxyaniline (CAS No. 1311197-92-8) is a specialized organic compound widely used in pharmaceutical and agrochemical research. This nitroaniline derivative has gained attention due to its unique structural features, making it valuable for synthesizing bioactive molecules. Researchers often search for "4-Bromo-N-methyl-2-nitro-5-propoxyaniline uses" or "CAS 1311197-92-8 suppliers," reflecting growing interest in this compound's potential applications.

The molecular structure of 4-Bromo-N-methyl-2-nitro-5-propoxyaniline contains three functional groups: a bromo substituent, a nitro group, and a propoxy chain. This combination creates interesting electronic properties that influence its reactivity. Current trends in "nitroaniline derivatives in drug discovery" highlight how compounds like 1311197-92-8 serve as building blocks for more complex molecules. The presence of both electron-withdrawing (nitro) and electron-donating (propoxy) groups makes this compound particularly versatile in synthetic chemistry.

In pharmaceutical applications, 4-Bromo-N-methyl-2-nitro-5-propoxyaniline has shown promise as an intermediate for developing kinase inhibitors. Recent searches for "nitroaniline-based drug candidates" correlate with increased research into targeted cancer therapies. The compound's bromine atom provides an excellent handle for further functionalization through cross-coupling reactions, a topic frequently searched as "palladium-catalyzed bromoarene reactions."

The agrochemical industry has also explored CAS 1311197-92-8 for developing novel pesticides. With growing concerns about "environmentally friendly crop protection," researchers are investigating how modified nitroanilines can create more selective and biodegradable active ingredients. The propoxy side chain in 4-Bromo-N-methyl-2-nitro-5-propoxyaniline may contribute to improved soil mobility and plant uptake characteristics.

Synthetic methodologies for 4-Bromo-N-methyl-2-nitro-5-propoxyaniline often involve sequential functionalization of aniline precursors. Popular search terms like "regioselective bromination of nitroanilines" reflect the technical challenges in producing this compound. Advanced techniques such as directed ortho-metalation have been employed to achieve the specific substitution pattern seen in 1311197-92-8.

From a commercial perspective, demand for 4-Bromo-N-methyl-2-nitro-5-propoxyaniline remains steady among specialty chemical suppliers. Procurement specialists frequently search for "high-purity CAS 1311197-92-8" or "custom synthesis nitroaniline derivatives," indicating the need for reliable sources. The compound typically appears as a yellow to orange crystalline solid with good stability under standard storage conditions.

Analytical characterization of 1311197-92-8 involves standard techniques like HPLC, NMR, and mass spectrometry. Quality control professionals often inquire about "HPLC methods for nitroaniline analysis" or "NMR reference data for brominated anilines." The compound shows characteristic UV-Vis absorption around 350-400 nm due to its conjugated nitroaromatic system.

Environmental and safety considerations for 4-Bromo-N-methyl-2-nitro-5-propoxyaniline follow standard laboratory chemical protocols. While not classified as hazardous under most regulations, proper handling of nitroaromatic compounds remains essential. Safety-conscious researchers commonly search for "nitro compound handling guidelines" and "personal protective equipment for aromatic amines."

The future outlook for CAS 1311197-92-8 appears promising as research continues into functionalized anilines. Emerging trends like "green chemistry approaches to nitro compounds" and "catalytic amination technologies" may influence its production methods. With its multiple reactive sites, 4-Bromo-N-methyl-2-nitro-5-propoxyaniline will likely remain important for developing new materials and bioactive molecules.

For researchers working with 1311197-92-8, understanding its solubility properties is crucial. Common solvent searches include "solubility of nitroanilines in DMSO" and "crystallization of brominated aromatic compounds." The compound demonstrates moderate solubility in polar organic solvents but limited water solubility, typical for this class of chemicals.

Patent literature reveals numerous applications of 4-Bromo-N-methyl-2-nitro-5-propoxyaniline derivatives, particularly in medicinal chemistry. Intellectual property professionals often investigate "patents covering nitroaniline intermediates" or "novel bromoarene synthetic routes." The compound's structural features make it valuable for protecting novel chemical spaces in drug development.

In conclusion, 4-Bromo-N-methyl-2-nitro-5-propoxyaniline (CAS No. 1311197-92-8) represents an important building block in modern organic synthesis. Its combination of bromine, nitro, and alkoxy functionalities enables diverse chemical transformations, answering the growing demand for "multifunctional aromatic intermediates." As research progresses, this compound will continue supporting innovations across multiple scientific disciplines.

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