Cas no 120553-05-1 ((3-fluorophenyl)(3-methoxyphenyl)methanone)

(3-fluorophenyl)(3-methoxyphenyl)methanone structure
120553-05-1 structure
Product Name:(3-fluorophenyl)(3-methoxyphenyl)methanone
CAS No:120553-05-1
MF:C14H11FO2
MW:230.234347581863
CID:1209890
PubChem ID:14347477
Update Time:2025-10-29

(3-fluorophenyl)(3-methoxyphenyl)methanone Chemical and Physical Properties

Names and Identifiers

    • (3-fluorophenyl)(3-methoxyphenyl)methanone
    • LogP
    • (3-fluorophenyl)-(3-methoxyphenyl)methanone
    • 3-FLUORO-3'-METHOXYBENZOPHENONE
    • Methanone,(3-fluorophenyl)(3-methoxyphenyl)
    • AKOS010013902
    • 3-Fluoro-3/'-methoxybenzophenone
    • DTXSID20559222
    • 120553-05-1
    • G68375
    • (3-Fluoro-phenyl)-(3-methoxy-phenyl)-methanone
    • MFCD01311552
    • SCHEMBL9520003
    • MDL: MFCD01311552
    • Inchi: 1S/C14H11FO2/c1-17-13-7-3-5-11(9-13)14(16)10-4-2-6-12(15)8-10/h2-9H,1H3
    • InChI Key: VEVUNNOCPNIWQE-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(=C1)C(C1C=CC=C(C=1)OC)=O

Computed Properties

  • Exact Mass: 230.07400
  • Monoisotopic Mass: 230.07430775g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 267
  • 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: 3.6
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.30000
  • LogP: 3.06530

(3-fluorophenyl)(3-methoxyphenyl)methanone Customs Data

  • HS CODE:2914700090
  • Customs Data:

    China Customs Code:

    2914700090

    Overview:

    2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

(3-fluorophenyl)(3-methoxyphenyl)methanone Pricemore >>

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Additional information on (3-fluorophenyl)(3-methoxyphenyl)methanone

Comprehensive Guide to (3-Fluorophenyl)(3-Methoxyphenyl)Methanone (CAS 120553-05-1): Properties, Applications, and Market Insights

(3-Fluorophenyl)(3-methoxyphenyl)methanone (CAS 120553-05-1) is a specialized aromatic ketone compound with growing importance in pharmaceutical and material science research. This fluorinated methanone derivative features a unique molecular structure combining 3-fluorophenyl and 3-methoxyphenyl groups, making it valuable for various synthetic applications. The compound's molecular formula C14H11FO2 and molecular weight 230.24 g/mol position it as an intermediate of significant interest in modern organic chemistry.

The growing demand for fluorinated organic compounds in drug discovery has increased attention on (3-fluorophenyl)(3-methoxyphenyl)methanone synthesis. Researchers particularly value its electron-withdrawing fluorine and electron-donating methoxy groups, which allow precise modulation of electronic properties in molecular design. Recent studies highlight its potential as a building block for bioactive molecules, especially in developing CNS-targeting pharmaceuticals and advanced material precursors.

From a physicochemical perspective, CAS 120553-05-1 typically appears as a white to off-white crystalline powder with moderate solubility in common organic solvents. Its melting point range (typically 85-90°C) and stability profile make it suitable for various laboratory-scale reactions and industrial applications. The compound's UV absorption characteristics (λmax ~260-280 nm) are particularly relevant for analytical method development and quality control procedures.

In pharmaceutical research, this methanone derivative serves as a key intermediate for developing novel therapeutic agents. Its structural features are being explored in neurological drug candidates, with particular interest in serotonin receptor modulators and dopamine pathway regulators. The 3-fluorophenyl moiety enhances metabolic stability, while the 3-methoxyphenyl group contributes to specific binding interactions—a combination addressing current challenges in CNS drug bioavailability.

The material science applications of (3-fluorophenyl)(3-methoxyphenyl)methanone are gaining traction in developing advanced polymer additives and liquid crystal materials. Its dipolar character and thermal stability make it valuable for creating high-performance specialty polymers with tailored optical and electronic properties. Recent patents highlight its use in OLED materials and organic semiconductors, aligning with the growing demand for flexible electronics and energy-efficient displays.

Market analysis indicates steady growth in demand for CAS 120553-05-1, particularly from contract research organizations and specialty chemical manufacturers. The compound's global market price trends reflect its niche status, with pricing influenced by fluorination process costs and pharmaceutical industry demand cycles. Current supply chain dynamics show increasing production in Asian specialty chemical hubs, with stringent quality control standards being implemented to meet GMP requirements for pharmaceutical intermediates.

From a synthetic chemistry perspective, several routes exist for preparing (3-fluorophenyl)(3-methoxyphenyl)methanone, including Friedel-Crafts acylation of appropriate precursors. Recent methodological advances focus on catalyst optimization and green chemistry approaches to improve yield and reduce environmental impact. The compound's purification challenges (particularly isomer separation) remain an active area of process chemistry research, with chromatographic techniques and crystallization optimization being key focus areas.

Analytical characterization of 120553-05-1 typically involves HPLC analysis, GC-MS, and NMR spectroscopy (particularly 19F NMR for quality assessment). The compound's spectral fingerprints are well-documented in chemical databases, facilitating its identification in complex reaction mixtures. Recent advancements in analytical method development have improved detection limits for related substances, crucial for meeting pharmaceutical impurity standards.

Regulatory aspects of (3-fluorophenyl)(3-methoxyphenyl)methanone vary by jurisdiction, with most regions classifying it as a general chemical substance. Proper handling procedures should follow standard laboratory safety protocols, including appropriate personal protective equipment. While not considered highly hazardous, its material safety data sheet recommends precautions against dust inhalation and eye contact during handling operations.

Future research directions for CAS 120553-05-1 include exploring its potential in catalytic asymmetric synthesis and as a precursor for metal-organic frameworks (MOFs). The compound's structural versatility continues to attract interest from medicinal chemists and materials scientists alike. With the pharmaceutical industry's growing focus on fluorine-containing drugs and the electronics sector's demand for specialty organic materials, this methanone derivative is poised for expanded applications in coming years.

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