Cas no 2172-91-0 (5-Methyl-2-phenoxyaniline)

5-Methyl-2-phenoxyaniline is an aromatic amine derivative featuring a methyl substituent at the 5-position and a phenoxy group at the 2-position of the aniline ring. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of dyes, pharmaceuticals, and agrochemicals. Its structural features, including the electron-donating methyl group and the phenoxy moiety, enhance its reactivity in electrophilic substitution and coupling reactions. The compound exhibits moderate solubility in organic solvents, facilitating its use in various synthetic applications. Its stability under standard conditions and well-defined reactivity profile make it a reliable building block for specialized chemical transformations.
5-Methyl-2-phenoxyaniline structure
5-Methyl-2-phenoxyaniline structure
Product Name:5-Methyl-2-phenoxyaniline
CAS No:2172-91-0
MF:C13H13NO
MW:199.248423337936
CID:1027513
PubChem ID:10397867
Update Time:2025-05-20

5-Methyl-2-phenoxyaniline Chemical and Physical Properties

Names and Identifiers

    • 5-Methyl-2-phenoxyaniline
    • 2-Amino-4-methyl-diphenylaether
    • 2-Amino-4-methyl-diphenylether
    • 4-Methyl-2-aminophenoxybenzol
    • 5-Methyl-2-phenoxyanilin
    • 5-Methyl-2-phenoxybenzenamine
    • 5-methyl-2-phenoxybenzeneamine
    • AG-A-86372
    • ANW-71573
    • CTK6B7049
    • SureCN2968813
    • EN300-101888
    • 5-Methyl-2-phenoxy-phenylamine
    • AKOS005264210
    • DB-129371
    • CS-0307942
    • DTXSID80439233
    • Z394650410
    • SCHEMBL2968813
    • G28776
    • CAA17291
    • 2172-91-0
    • GZMMICGZSGLOHE-UHFFFAOYSA-N
    • MDL: MFCD08688320
    • Inchi: 1S/C13H13NO/c1-10-7-8-13(12(14)9-10)15-11-5-3-2-4-6-11/h2-9H,14H2,1H3
    • InChI Key: GZMMICGZSGLOHE-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=CC=1)C1C=CC(C)=CC=1N

Computed Properties

  • Exact Mass: 199.09979
  • Monoisotopic Mass: 199.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 189
  • 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: 3.3
  • Topological Polar Surface Area: 35.2?2

Experimental Properties

  • PSA: 35.25

5-Methyl-2-phenoxyaniline Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

5-Methyl-2-phenoxyaniline Pricemore >>

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Additional information on 5-Methyl-2-phenoxyaniline

Comprehensive Overview of 5-Methyl-2-phenoxyaniline (CAS No. 2172-91-0): Properties, Applications, and Industry Insights

5-Methyl-2-phenoxyaniline (CAS No. 2172-91-0) is a specialized organic compound widely recognized for its role in fine chemical synthesis and industrial applications. This aromatic amine derivative, characterized by its methyl and phenoxy functional groups, has garnered significant attention due to its versatility in pharmaceuticals, agrochemicals, and material science. Its molecular structure (C13H13NO) and aniline backbone make it a valuable intermediate for researchers and manufacturers alike.

In recent years, the demand for 5-Methyl-2-phenoxyaniline has surged, driven by its applications in high-performance polymers and dye intermediates. Industry trends highlight a growing focus on sustainable synthesis methods, aligning with global initiatives like green chemistry. Researchers frequently search for "CAS 2172-91-0 solubility" or "5-Methyl-2-phenoxyaniline synthesis route," reflecting the compound's technical relevance. Its stability under moderate conditions and compatibility with catalytic systems further enhance its industrial appeal.

From a biochemical perspective, the phenoxyaniline moiety in 5-Methyl-2-phenoxyaniline exhibits unique electronic properties, making it a candidate for OLED materials and photovoltaic research. Patent analyses reveal its use in advanced electronic coatings, where its low volatility and thermal resistance are critical. Environmental considerations also play a role; studies on "2172-91-0 biodegradability" underscore the need for eco-friendly derivatives, a hot topic in regulatory discussions.

Quality control of CAS No. 2172-91-0 involves rigorous HPLC analysis and spectroscopic characterization, as impurities can impact downstream applications. Suppliers often emphasize "high-purity 5-Methyl-2-phenoxyaniline" to meet pharmaceutical-grade standards. The compound's logP value (~3.2) and hydrogen bonding capacity are frequently cited in QSAR modeling studies, linking its structure to bioactivity profiles.

Emerging applications include corrosion inhibitors and adhesive formulations, where the compound's aromatic stability enhances product longevity. With the rise of AI-driven drug discovery, computational chemists utilize 2172-91-0 molecular descriptors for virtual screening. This intersection of traditional chemistry and digital innovation positions 5-Methyl-2-phenoxyaniline as a bridge between legacy processes and cutting-edge research.

Regulatory compliance for 5-Methyl-2-phenoxyaniline varies by region, with REACH and TSCA listings requiring detailed safety data sheets. Occupational exposure limits and handling guidelines are critical for industrial users, as reflected in search queries like "CAS 2172-91-0 PPE requirements." The compound's low acute toxicity profile supports its adoption in controlled environments, though proper ventilation systems remain recommended.

Future prospects for 2172-91-0 include exploration in catalyzed cross-coupling reactions and nanomaterial functionalization. As industries prioritize circular economy principles, recycling protocols for phenoxyaniline derivatives may gain traction. The compound's balance of reactivity and stability ensures its continued relevance across scientific disciplines, from medicinal chemistry to advanced material engineering.

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