Cas no 54879-20-8 (2-Bromo-3-methylaniline)

2-Bromo-3-methylaniline is a halogenated aromatic amine with the molecular formula C?H?BrN. This compound is characterized by the presence of a bromine substituent and a methyl group on the aniline ring, making it a valuable intermediate in organic synthesis. Its structural features enable selective functionalization, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The bromine atom offers reactivity for cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, while the methyl group can influence steric and electronic properties. High purity grades ensure consistent performance in research and industrial applications. Proper handling is essential due to its potential toxicity and sensitivity to light and air.
2-Bromo-3-methylaniline structure
2-Bromo-3-methylaniline structure
Product Name:2-Bromo-3-methylaniline
CAS No:54879-20-8
MF:C7H8BrN
MW:186.049120903015
MDL:MFCD06411367
CID:366113
PubChem ID:603781
Update Time:2025-10-30

2-Bromo-3-methylaniline Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-3-methylaniline
    • Benzenamine, 2-bromo-3-methyl-
    • 2-Bromo-3-methylphenylamine
    • MDL: MFCD06411367
    • Inchi: 1S/C7H8BrN/c1-5-3-2-4-6(9)7(5)8/h2-4H,9H2,1H3
    • InChI Key: VJNUZLYTGSGDHR-UHFFFAOYSA-N
    • SMILES: BrC1C(=CC=CC=1C)N

Computed Properties

  • Exact Mass: 184.98400
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 94.9
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.3

Experimental Properties

  • Color/Form: Not available
  • Density: 1.489
  • Boiling Point: 48 oC
  • Flash Point: >110 oC
  • Refractive Index: 1.605
  • PSA: 26.02000
  • LogP: 2.92090
  • Solubility: Not available

2-Bromo-3-methylaniline Security Information

  • Hazardous Material transportation number:2810
  • WGK Germany:3
  • Hazard Category Code: R22;R43
  • Safety Instruction: 36/37
  • Hazardous Material Identification: Xn
  • HazardClass:6.1
  • Risk Phrases:R22

2-Bromo-3-methylaniline Customs Data

  • HS CODE:2921430090
  • Customs Data:

    China Customs Code:

    2921430090

    Overview:

    2921430090 Toluidine and its derivatives and their salts. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Evidence document and number of origin(example Certificate of origin attached, Originating in the European Union

    Summary:

    HS:2921430090 toluidines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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2-Bromo-3-methylaniline Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:54879-20-8)2-Bromo-3-methylaniline
Order Number:A7968
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:04
Price ($):553.0

Additional information on 2-Bromo-3-methylaniline

Introduction to 2-Bromo-3-methylaniline (CAS No. 54879-20-8)

2-Bromo-3-methylaniline, with the chemical formula C?H?BrN, is a brominated aromatic amine that has garnered significant attention in the field of pharmaceutical and agrochemical research. This compound serves as a crucial intermediate in the synthesis of various bioactive molecules, including pharmaceuticals and specialty chemicals. Its unique structural properties, characterized by the presence of both a bromine substituent and a methyl group on an aniline backbone, make it a versatile building block for further functionalization.

The CAS number 54879-20-8 provides a unique identifier for this compound, ensuring consistency and accuracy in scientific literature and industrial applications. As a key intermediate, 2-Bromo-3-methylaniline is widely utilized in the development of novel therapeutic agents. Its reactivity allows for further modifications, such as nucleophilic substitution reactions, which are essential for constructing more complex molecular architectures.

In recent years, there has been a growing interest in exploring the pharmacological potential of 2-Bromo-3-methylaniline and its derivatives. Researchers have been investigating its role in the synthesis of antimicrobial agents, anticancer drugs, and neurological therapeutics. The bromine atom in its structure enhances its reactivity, making it an attractive candidate for medicinal chemistry applications.

One of the most compelling aspects of 2-Bromo-3-methylaniline is its ability to serve as a precursor for more complex molecules. For instance, it has been employed in the synthesis of kinase inhibitors, which are critical in targeted cancer therapies. The methyl group at the 3-position provides a handle for further chemical transformations, allowing researchers to tailor the compound's properties to specific biological targets.

The agrochemical industry also benefits from the use of 2-Bromo-3-methylaniline as an intermediate in the production of pesticides and herbicides. Its structural features contribute to the efficacy of these compounds by enhancing their binding affinity to biological targets. This has led to several patents and commercial products that incorporate derivatives of this compound.

From a synthetic chemistry perspective, 2-Bromo-3-methylaniline is valued for its role in cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings. These reactions are fundamental in constructing biaryl structures, which are prevalent in many pharmacologically active compounds. The presence of both bromine and methyl groups makes it an ideal substrate for these transformations.

Recent studies have highlighted the importance of 2-Bromo-3-methylaniline in drug discovery pipelines. For example, researchers have demonstrated its utility in generating libraries of diversified compounds for high-throughput screening. This approach has led to the identification of novel lead compounds with potential therapeutic applications.

The versatility of 2-Bromo-3-methylaniline extends beyond pharmaceuticals into materials science. Its derivatives have been explored as components in organic electronic devices due to their electronic properties. The bromine substituent can be used to modify charge transport characteristics, making it valuable for developing advanced materials.

In conclusion, 2-Bromo-3-methylaniline (CAS No. 54879-20-8) is a multifaceted compound with significant implications across multiple scientific disciplines. Its role as an intermediate in pharmaceutical synthesis, agrochemical production, and materials science underscores its importance in modern chemistry research. As new methodologies and applications emerge, the demand for high-quality 2-Bromo-3-methylaniline is expected to continue growing.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:54879-20-8)2-Bromo-3-methylaniline
A7968
Purity:99%
Quantity:500g
Price ($):553.0
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