Cas no 656-42-8 (2,2-difluoro-2H-1,3-benzodioxole-5-carbaldehyde)

2,2-Difluoro-2H-1,3-benzodioxole-5-carbaldehyde is a fluorinated benzodioxole derivative characterized by its unique difluoro substitution at the 2-position, enhancing its reactivity and stability. The aldehyde functional group at the 5-position makes it a versatile intermediate for synthesizing pharmaceuticals, agrochemicals, and specialty materials. Its electron-withdrawing fluorine atoms improve electrophilicity, facilitating nucleophilic additions and condensations. The benzodioxole scaffold contributes to its rigid structure, which can influence the stereoelectronic properties of derived compounds. This compound is particularly valuable in medicinal chemistry for designing bioactive molecules due to its ability to modulate lipophilicity and metabolic stability. High purity and consistent performance make it suitable for demanding synthetic applications.
2,2-difluoro-2H-1,3-benzodioxole-5-carbaldehyde structure
656-42-8 structure
Product Name:2,2-difluoro-2H-1,3-benzodioxole-5-carbaldehyde
CAS No:656-42-8
MF:C8H4F2O3
MW:186.112369537354
MDL:MFCD00792420
CID:39443
PubChem ID:24881508
Update Time:2025-08-04

2,2-difluoro-2H-1,3-benzodioxole-5-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2,2-Difluorobenzo[d][1,3]dioxole-5-carbaldehyde
    • 2,2-Difluoro-5-formyl-1,3-benzodioxole
    • 2,2-Difluoro-1,3-benzodioxole-5-carboxaldehyde
    • 2,2-Difluoro-1,3-benzodioxole-5-carbaldehyde
    • 2,2-Difluoro-5-formylbenzodioxole
    • 2,2-Difluorobenzodioxole-5-carboxaldehyde
    • 2,4-Difluorobenzaldehyde
    • 2,2-difluoro-2H-1,3-benzodioxole-5-carbaldehyde
    • 1,3-Benzodioxole-5-carboxaldehyde, 2,2-difluoro-
    • 2,2-DIFLUORO-BENZO[1,3]DIOXOLE-5-CARBALDEHYDE
    • 2,2-difluorobenzo[1,3]dioxole-5-carbaldehyde
    • KSC622S5F
    • DTXSID50371737
    • 2,2-difluoro-1,3-dioxaindane-5-carbaldehyde
    • PB17187
    • 2,2-difluorobenzo[d][1,3]dioxol-5carbaldehyde
    • CS-W016922
    • SCHEMBL497425
    • 2,2-difluoro-5-formylbenzodioxolane
    • 2,2-difluorobenzo[1,3]dioxol-5-carbaldehyde
    • 656-42-8
    • Z1255438933
    • 2,2-Difluoro-5-formylbenzodioxole, 97%
    • MFCD00792420
    • 2,2-difluorobenzo[d][1,3]dioxol-5-carbaldehyde
    • EN300-115617
    • SY009382
    • A835171
    • DS-14269
    • AKOS005255476
    • FT-0609229
    • AMY14250
    • Benzaldehyde,3,4-[(difluoromethylene)dioxy]- (6CI,8CI)
    • 1,3-Benzodioxole-5-carboxaldehyde,2,2-difluoro-
    • 2,2-Difluoro-1,3-benzodioxol-5-carboxaldehyde
    • 2,2-Difluoro-1,3-benzodioxolo-5-carboxaldehyde
    • MDL: MFCD00792420
    • Inchi: 1S/C8H4F2O3/c9-8(10)12-6-2-1-5(4-11)3-7(6)13-8/h1-4H
    • InChI Key: GGERGLKEDUUSAP-UHFFFAOYSA-N
    • SMILES: FC1(OC2C=CC(C=O)=CC=2O1)F
    • BRN: 1369253

Computed Properties

  • Exact Mass: 186.01300
  • Monoisotopic Mass: 186.013
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 219
  • 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: 1.8
  • Topological Polar Surface Area: 35.5

Experimental Properties

  • Color/Form: Liquid
  • Density: 1.422?g/mL?at 25?°C(lit.)
  • Boiling Point: 202-203?°C(lit.)
  • Flash Point: Degrees Fahrenheit:204.8°F
    Degrees Celsius:96°C
  • Refractive Index: n20/D 1.5000(lit.)
  • Water Partition Coefficient: Sparingly soluble in water (0.31 g/L at 25°C).
  • PSA: 35.53000
  • LogP: 1.82060
  • Solubility: Not determined
  • Sensitiveness: Air Sensitive

2,2-difluoro-2H-1,3-benzodioxole-5-carbaldehyde Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315,H319,H335
  • Warning Statement: P261,P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36
  • Hazardous Material Identification: Xi
  • Safety Term:S26;S36
  • Risk Phrases:R36/37/38
  • Storage Condition:Inert atmosphere,2-8°C

2,2-difluoro-2H-1,3-benzodioxole-5-carbaldehyde Customs Data

  • HS CODE:2932999099
  • Customs Data:

    China Customs Code:

    2932999099

    Overview:

    2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 2,2-difluoro-2H-1,3-benzodioxole-5-carbaldehyde

Compound CAS No. 656-42-8: 2,2-Difluoro-2H-1,3-Benzodioxole-5-Carbaldehyde

The compound with CAS number 656-42-8, commonly referred to as 2,2-difluoro-2H-1,3-benzodioxole-5-carbaldehyde, is a highly specialized organic compound that has garnered significant attention in the fields of organic synthesis and materials science. This compound is characterized by its unique structure, which combines a benzodioxole ring system with a fluoro-substituted aldehyde group. The benzodioxole core is known for its aromatic stability and versatility in chemical reactions, while the fluoro substituents introduce electronic effects that enhance its reactivity and functional diversity.

Recent studies have highlighted the potential of 2,2-difluoro-2H-1,3-benzodioxole-5-carbaldehyde in the development of advanced materials. Researchers have explored its role in the synthesis of novel polymers and optoelectronic devices. For instance, a 2023 study published in *Advanced Materials* demonstrated that this compound can serve as a building block for constructing highly conductive polymer networks. The fluorine atoms in the molecule contribute to improved electron mobility, making it a promising candidate for applications in flexible electronics and organic light-emitting diodes (OLEDs).

In addition to its material science applications, 2,2-difluoro-2H-1,3-benzodioxole-5-carbaldehyde has shown potential in medicinal chemistry. Its aromatic stability and electron-withdrawing groups make it an ideal scaffold for drug design. A 2023 paper in *Journal of Medicinal Chemistry* reported that derivatives of this compound exhibit potent anti-inflammatory activity. The benzodioxole ring system provides a rigid framework that enhances bioavailability and target specificity, making it a valuable tool in drug discovery.

The synthesis of CAS No. 656-42-8 involves a multi-step process that combines traditional organic synthesis techniques with modern catalytic methods. A recent advancement reported in *Nature Chemistry* utilized palladium-catalyzed cross-coupling reactions to achieve high yields of this compound. The use of transition metal catalysts not only simplifies the synthesis but also reduces environmental impact by minimizing waste production.

From an environmental standpoint, the stability and biodegradability of CAS No. 656-42-8 have been extensively studied. According to a 2023 report by the European Chemicals Agency (ECHA), this compound exhibits low toxicity to aquatic organisms under standard test conditions. Its resistance to photodegradation makes it suitable for outdoor applications without significant environmental concerns.

In conclusion, CAS No. 656-42-8 (2,2-difluoro-2H-1,3-benzodioxole-5-carbaldehyde) stands as a versatile and innovative compound with wide-ranging applications across multiple disciplines. Its unique chemical structure, combined with recent advancements in synthesis and application techniques, positions it as a key player in the development of next-generation materials and pharmaceuticals.

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