Cas no 770-11-6 ((Chlorodifluoromethoxy)benzene)

Chlorodifluoromethoxybenzene, a chlorinated aromatic compound, exhibits exceptional stability and low volatility. Its unique molecular structure endows it with superior thermal stability, making it ideal for various applications. The compound's high purity and specific functional group ensure compatibility with diverse chemical reactions, contributing to its versatility in the synthesis of advanced organic materials.
(Chlorodifluoromethoxy)benzene structure
770-11-6 structure
Product Name:(Chlorodifluoromethoxy)benzene
CAS No:770-11-6
MF:C7H5ClF2O
MW:178.563808202744
MDL:MFCD03412214
CID:839471
PubChem ID:11600769
Update Time:2025-06-20

(Chlorodifluoromethoxy)benzene Chemical and Physical Properties

Names and Identifiers

    • (Chlorodifluoromethoxy)benzene
    • [Chloro(difluoro)methoxy]benzene
    • chloro-difluoromethoxybenzene
    • difluorochloromethoxybenzene
    • UCFJMYVFTUOACF-UHFFFAOYSA-N
    • SCHEMBL4532633
    • AM83171
    • CS-0208168
    • AKOS017344042
    • BS-24344
    • DTXSID30469227
    • EN300-89197
    • (DIFLUOROCHLOROMETHOXY)BENZENE
    • MFCD03412214
    • 770-11-6
    • MDL: MFCD03412214
    • Inchi: 1S/C7H5ClF2O/c8-7(9,10)11-6-4-2-1-3-5-6/h1-5H
    • InChI Key: UCFJMYVFTUOACF-UHFFFAOYSA-N
    • SMILES: ClC(OC1C=CC=CC=1)(F)F

Computed Properties

  • Exact Mass: 178.00000
  • Monoisotopic Mass: 177.9996988g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 124
  • 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: 3.4
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • PSA: 9.23000
  • LogP: 2.85450

(Chlorodifluoromethoxy)benzene Customs Data

  • HS CODE:2909309090
  • Customs Data:

    China Customs Code:

    2909309090

    Overview:

    2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

(Chlorodifluoromethoxy)benzene Pricemore >>

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Additional information on (Chlorodifluoromethoxy)benzene

Overview of (Chlorodifluoromethoxy)benzene (CAS No. 770-11-6)

(Chlorodifluoromethoxy)benzene (CAS No. 770-11-6) is a versatile organic compound that has garnered significant attention in the fields of chemical synthesis, pharmaceutical research, and materials science. This compound, characterized by its unique chlorodifluoromethoxy functional group, exhibits a range of properties that make it valuable for various applications. In this comprehensive overview, we will delve into the chemical structure, synthesis methods, physical and chemical properties, and the latest research developments involving (Chlorodifluoromethoxy)benzene.

Chemical Structure and Synthesis

The molecular formula of (Chlorodifluoromethoxy)benzene is C7H4ClF2O. The compound features a benzene ring substituted with a chlorodifluoromethoxy group (-OCF2Cl). The synthesis of (Chlorodifluoromethoxy)benzene can be achieved through several methods, including nucleophilic substitution reactions and electrophilic aromatic substitution. One common approach involves the reaction of chlorodifluoromethyl alcohol with a suitable aryl halide in the presence of a base such as potassium carbonate. This method provides high yields and good purity, making it suitable for both laboratory-scale synthesis and industrial production.

Physical and Chemical Properties

(Chlorodifluoromethoxy)benzene is a colorless liquid with a characteristic odor. It has a boiling point of approximately 135°C at atmospheric pressure and is slightly soluble in water but highly soluble in organic solvents such as dichloromethane, ethyl acetate, and toluene. The compound's polarity is influenced by the presence of the chlorodifluoromethoxy group, which imparts both electron-withdrawing and electron-donating effects on the benzene ring. These properties make it an excellent starting material for further chemical transformations.

Spectroscopic Analysis

The spectroscopic properties of (Chlorodifluoromethoxy)benzene have been extensively studied using techniques such as nuclear magnetic resonance (NMR), infrared (IR), and mass spectrometry (MS). The NMR spectrum shows characteristic signals for the aromatic protons and the fluorine atoms in the chlorodifluoromethoxy group. The IR spectrum exhibits strong absorption bands corresponding to the C-F and C-O bonds, while the MS spectrum provides information on the molecular ion and fragment ions. These spectroscopic data are crucial for confirming the identity and purity of the compound.

Applications in Chemical Synthesis

(Chlorodifluoromethoxy)benzene is widely used as an intermediate in organic synthesis due to its reactivity and functional group compatibility. It serves as a building block for constructing more complex molecules, including pharmaceuticals, agrochemicals, and materials with unique properties. For example, it can be used in Suzuki coupling reactions to form biaryl compounds or in nucleophilic substitution reactions to introduce various functional groups onto the benzene ring.

Pharmaceutical Research and Development

In the pharmaceutical industry, (Chlorodifluoromethoxy)benzene has shown promise as a key intermediate in the synthesis of drug candidates with potential therapeutic applications. Recent studies have explored its use in developing new antiviral agents, anticancer drugs, and central nervous system (CNS) modulators. The presence of the chlorodifluoromethoxyF-containing moiety can influence the pharmacokinetic properties of drug molecules, such as their solubility, metabolic stability, and bioavailability.?The ability to fine-tune these properties through strategic chemical modifications makes?(Chlorodifluoromethoxy)benzene??an attractive starting material for drug discovery programs.?????????????????????</em></em></em></em></em></em></em></em></em></em></em></em></em></em></em></em></em> &#8203; &#8203; &#8203; &#8203; &#8203; &#8203; &#8203; &#8203; &#8203; &#8203; &#8203;
Safety Considerations:In handling (Chlorodifluoromethoxy)benzene, appropriate safety measures should be taken to ensure safe storage and use. The compound should be handled in well-ventilated areas to avoid inhalation of vapors. Personal protective equipment such as gloves, goggles, and lab coats should be worn to prevent skin contact and eye irritation. Additionally, it is important to follow all local regulations regarding the handling and disposal of chemicals.

FUTURE RESEARCH DIRECTIONS:The continued exploration of (Chlorodifluoromethoxy)benzene's unique properties holds promise for advancing various scientific fields. Future research may focus on developing more efficient synthetic methods to produce this compound on a larger scale while maintaining high purity standards. Additionally,broadening its application scope in areas such as materials science,biochemistry,bnd environmental chemistry could lead to novel discoveries that benefit society.

In conclusion,(Chlorodifluoromethoxy)benzene (CAS No.b770-11-6)bis an important compound with diverse applications across multiple disciplines.bIts unique chemical structure,bphysical properties,bnd potential uses make it a valuable tool for researchers seeking to advance their work.

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