Cas no 627531-40-2 (2-Methoxy-3-Nitrobenzotrifluoride)

2-Methoxy-3-Nitrobenzotrifluoride is a fluorinated aromatic compound characterized by the presence of methoxy and nitro functional groups on a benzotrifluoride backbone. Its molecular structure, featuring a trifluoromethyl group, enhances its electron-withdrawing properties, making it valuable in organic synthesis and pharmaceutical intermediates. The compound exhibits stability under various reaction conditions, facilitating its use in nucleophilic substitution and coupling reactions. Its nitro group provides a reactive site for further functionalization, while the methoxy group contributes to solubility in organic solvents. This compound is particularly useful in the development of agrochemicals, dyes, and specialty chemicals, where precise electronic and steric effects are required.
2-Methoxy-3-Nitrobenzotrifluoride structure
627531-40-2 structure
Product Name:2-Methoxy-3-Nitrobenzotrifluoride
CAS No:627531-40-2
MF:C8H6F3NO3
MW:221.1333527565
CID:1029448
PubChem ID:21935869
Update Time:2025-05-21

2-Methoxy-3-Nitrobenzotrifluoride Chemical and Physical Properties

Names and Identifiers

    • 2-Methoxy-1-nitro-3-(trifluoromethyl)benzene
    • 2-METHOXY-3-NITROBENZOTRIFLUORIDE
    • 2-Methoxy-3-(trifluoromethyl)nitrobenzene
    • 2-Nitro-6-(trifluoromethyl)anisole
    • AK135925
    • PC5267
    • SBB096095
    • SureCN1549472
    • Benzene, 2-methoxy-1-nitro-3-(trifluoromethyl)-
    • CAB53140
    • AKOS016846203
    • MFCD08532488
    • 6-methoxy-5-nitrobenzotrifluoride
    • PS-10459
    • DTXSID50620338
    • SCHEMBL1549472
    • 627531-40-2
    • CS-0454434
    • 2-Methoxy-3-Nitrobenzotrifluoride
    • MDL: MFCD08532488
    • Inchi: 1S/C8H6F3NO3/c1-15-7-5(8(9,10)11)3-2-4-6(7)12(13)14/h2-4H,1H3
    • InChI Key: UZQBIPDAXBSVOV-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC=C(C=1OC)[N+](=O)[O-])(F)F

Computed Properties

  • Exact Mass: 221.02998
  • Monoisotopic Mass: 221.02997754g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 238
  • 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: 2.6
  • Topological Polar Surface Area: 55?2

Experimental Properties

  • PSA: 52.37

2-Methoxy-3-Nitrobenzotrifluoride Pricemore >>

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Additional information on 2-Methoxy-3-Nitrobenzotrifluoride

Comprehensive Analysis of 2-Methoxy-3-Nitrobenzotrifluoride (CAS No. 627531-40-2)

2-Methoxy-3-Nitrobenzotrifluoride (CAS No. 627531-40-2) is a specialized organic compound widely utilized in pharmaceutical intermediates, agrochemical synthesis, and advanced material research. Its unique molecular structure, featuring a methoxy group, nitro substituent, and trifluoromethyl moiety, makes it a versatile building block for designing high-performance compounds. This article delves into its properties, applications, and relevance in modern scientific advancements, addressing trending queries like "nitrobenzotrifluoride derivatives" and "methoxy-nitro aromatic compounds."

The compound’s trifluoromethyl group enhances lipophilicity and metabolic stability, a key reason for its prominence in drug discovery. Researchers frequently search for "CAS 627531-40-2 solubility" or "2-Methoxy-3-Nitrobenzotrifluoride synthesis," reflecting its technical demand. Its electron-withdrawing nitro group facilitates electrophilic substitution reactions, enabling tailored modifications for target applications. Recent studies highlight its role in developing fluorescent probes and photoactive materials, aligning with the growing interest in "nitroaromatics for optoelectronics."

From an industrial perspective, 627531-40-2 is pivotal in producing crop protection agents and specialty chemicals. Its stability under acidic conditions (pH-resistant nitro compounds) makes it ideal for formulations requiring durability. Environmental considerations also drive searches like "biodegradability of nitrobenzotrifluorides," prompting innovations in greener synthesis routes. Regulatory-compliant handling protocols are emphasized, though the compound is not classified under restricted categories.

Analytical techniques such as HPLC and GC-MS are commonly employed to verify the purity of 2-Methoxy-3-Nitrobenzotrifluoride. Quality benchmarks often reference "CAS 627531-40-2 specifications" to ensure consistency in research and production. The compound’s melting point (78–82°C) and molecular weight (235.14 g/mol) are critical parameters for end-users.

Emerging applications include its use in organic semiconductors and catalysis, responding to the surge in "nitroaromatic catalysts" searches. Collaborations between academia and industry continue to explore its potential, cementing 627531-40-2 as a cornerstone in synthetic chemistry. Future directions may focus on scaling sustainable production methods, addressing the "green chemistry" trend dominating scientific discourse.

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