Cas no 2265-94-3 (3,5-Difluoronitrobenzene)

3,5-Difluoronitrobenzene is a fluorinated aromatic compound with the molecular formula C?H?F?NO?. It serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The presence of fluorine atoms at the 3- and 5-positions enhances its reactivity in nucleophilic aromatic substitution reactions, making it valuable for constructing complex molecular frameworks. Its nitro group further facilitates functionalization through reduction or displacement. The compound exhibits high purity and stability under standard conditions, ensuring reliable performance in synthetic applications. Its well-defined structure and predictable reactivity make it a preferred choice for researchers developing advanced chemical entities.
3,5-Difluoronitrobenzene structure
3,5-Difluoronitrobenzene structure
Product Name:3,5-Difluoronitrobenzene
CAS No:2265-94-3
MF:C6H3F2NO2
MW:159.090328454971
MDL:MFCD00012142
CID:42696
PubChem ID:24858470
Update Time:2025-08-05

3,5-Difluoronitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 1,3-Difluoro-5-nitro-benzene
    • 3,5-Difluornitrobenzene
    • 3,5-Difluoronitrobenzene
    • 1,3-difluoro-5-nitrobenzene
    • 1,3-Difluor-5-nitro-benzol
    • 2,6-difluoro-4-nitrobenzene
    • 3,5-difluoro-1-nitrobenzene
    • 3,5-difluoro-nitrobenzene
    • Benzene,1,3-difluoro-5-nitro
    • Benzene, 1,3-difluoro-5-nitro-
    • 1-nitro-3,5-difluorobenzene
    • AUQBBDWDLJSKMI-UHFFFAOYSA-N
    • NSC10260
    • PubChem2291
    • 3,5-difluoronitroben
    • benzene, 1,3-difluoro-5-nitro- (7ci,8ci,9ci)
    • KSC201S8B
    • Jsp004589
    • KS
    • AM61847
    • 27ZN24954J
    • FT-0634172
    • MFCD00012142
    • NSC 10260
    • AKOS005063583
    • 2265-94-3
    • NS00049134
    • AS-33088
    • 1,3-Difluoro-5-nitrobenzene #
    • D3426
    • CS-W016187
    • BP-13437
    • SCHEMBL1172437
    • EINECS 218-867-0
    • UNII-27ZN24954J
    • InChI=1/C6H3F2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
    • W-107464
    • AC-2665
    • EN300-50140
    • 3,5-Difluoronitrobenzene, 99%
    • DTXSID30177193
    • AUQBBDWDLJSKMI-UHFFFAOYSA-
    • A4841
    • Z600389896
    • NSC-10260
    • DTXCID7099684
    • MDL: MFCD00012142
    • Inchi: 1S/C6H3F2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
    • InChI Key: AUQBBDWDLJSKMI-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=C(C=1)[N+](=O)[O-])F

Computed Properties

  • Exact Mass: 159.01300
  • Monoisotopic Mass: 159.013185
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 149
  • 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: 2.1
  • Topological Polar Surface Area: 45.8

Experimental Properties

  • Color/Form: Light yellow transparent liquid
  • Density: 1.407?g/mL?at 25?°C(lit.)
  • Melting Point: 17?°C (lit.)
  • Boiling Point: 177°C(lit.)
  • Flash Point: Fahrenheit: 165.2 ° f
    Celsius: 74 ° c
  • Refractive Index: n20/D 1.499(lit.)
  • Stability/Shelf Life: Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
  • PSA: 45.82000
  • LogP: 2.39620
  • Solubility: Not determined

3,5-Difluoronitrobenzene Security Information

  • Symbol: GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H315,H319,H335
  • Warning Statement: P261,P305+P351+P338
  • Hazardous Material transportation number:UN 3265
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36
  • RTECS:CZ5712000
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT, IRRITANT-HARMFUL
  • Safety Term:S26;S36
  • Risk Phrases:R36/37/38

3,5-Difluoronitrobenzene Customs Data

  • HS CODE:2904909090
  • Customs Data:

    China Customs Code:

    2904909090

    Overview:

    2904909090 Sulfonation of other hydrocarbons\nitrification\Nitrosative derivative(Whether halogenated or not). 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

    Summary:

    HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

3,5-Difluoronitrobenzene Pricemore >>

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3,5-Difluoronitrobenzene Suppliers

Suzhou Senfeida Chemical Co., Ltd
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(CAS:2265-94-3)3,5-Difluoronitrobenzene
Order Number:sfd2414
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:32
Price ($):discuss personally
Amadis Chemical Company Limited
Gold Member
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(CAS:2265-94-3)3,5-Difluoronitrobenzene
Order Number:A4841
Stock Status:in Stock
Quantity:100g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:03
Price ($):248.0

3,5-Difluoronitrobenzene Related Literature

Additional information on 3,5-Difluoronitrobenzene

Professional Introduction to 3,5-Difluoronitrobenzene (CAS No. 2265-94-3)

3,5-Difluoronitrobenzene, identified by the chemical compound code CAS No. 2265-94-3, is a fluorinated nitroaromatic compound that has garnered significant attention in the field of organic chemistry and pharmaceutical research. This compound, characterized by its dual fluorine substituents and nitro group, exhibits unique chemical properties that make it a valuable intermediate in the synthesis of various agrochemicals, pharmaceuticals, and specialty chemicals. The structural features of 3,5-difluoronitrobenzene contribute to its reactivity and versatility, enabling its application in multiple synthetic pathways.

The significance of 3,5-difluoronitrobenzene in modern chemical synthesis cannot be overstated. Its molecular structure, which includes both fluorine atoms and a nitro group, allows for a wide range of chemical transformations. These transformations are crucial for the development of novel compounds with enhanced biological activity. Recent studies have highlighted the compound's role in the synthesis of bioactive molecules, particularly in the development of new therapeutic agents.

In the realm of pharmaceutical research, 3,5-difluoronitrobenzene has been explored as a key intermediate in the production of various pharmacologically active compounds. The presence of fluorine atoms in its structure imparts specific electronic and steric properties that can influence the efficacy and selectivity of drug candidates. For instance, fluorinated aromatic compounds are known to exhibit improved metabolic stability and bioavailability, making them attractive for medicinal chemistry applications.

One of the most compelling aspects of 3,5-difluoronitrobenzene is its utility in cross-coupling reactions, which are fundamental to modern synthetic organic chemistry. These reactions allow for the formation of carbon-carbon bonds and are essential for constructing complex molecular frameworks. The nitro group in 3,5-difluoronitrobenzene can be selectively reduced to an amine or converted into other functional groups, providing multiple avenues for synthetic manipulation.

The latest research findings indicate that 3,5-difluoronitrobenzene is being utilized in the development of novel agrochemicals. Fluorinated nitroaromatics are known to possess potent biological activity against various pests and pathogens. The structural modifications introduced by fluorine atoms enhance the binding affinity of these compounds to biological targets, leading to more effective pest control solutions.

3,5-difluoronitrobenzene. Catalytic processes that minimize waste and energy consumption are being developed to align with environmental regulations and sustainability goals. These innovations not only improve the efficiency of production but also reduce the ecological footprint of chemical manufacturing.

The role of computational chemistry in understanding the reactivity of 3,5-difluoronitrobenzene has also been increasingly recognized. Molecular modeling techniques allow researchers to predict reaction outcomes and optimize synthetic routes before conducting experimental work. This approach accelerates the discovery process and reduces the need for trial-and-error experimentation.

In conclusion, 3,5-difluoronitrobenzene (CAS No. 2265-94-3) represents a versatile and valuable compound in modern chemical synthesis. Its unique structural features enable a wide range of applications in pharmaceuticals, agrochemicals, and specialty chemicals. As research continues to uncover new methodologies for its synthesis and utilization, the importance of this compound is expected to grow further. The ongoing development of innovative synthetic strategies and computational tools will continue to enhance its potential in various scientific disciplines.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:2265-94-3)3,5-Difluoronitrobenzene
sfd2414
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Amadis Chemical Company Limited
(CAS:2265-94-3)3,5-Difluoronitrobenzene
A4841
Purity:99%
Quantity:100g
Price ($):248.0
Email