Cas no 112897-97-9 (trans-3,4-Difluorocinnamic Acid)

Technical Introduction: trans-3,4-Difluorocinnamic Acid trans-3,4-Difluorocinnamic Acid is a fluorinated cinnamic acid derivative characterized by its trans-configuration and difluorination at the 3- and 4-positions of the phenyl ring. This structural modification enhances its electronic and steric properties, making it a valuable intermediate in organic synthesis and pharmaceutical research. The fluorine substituents improve metabolic stability and binding affinity in bioactive molecules, while the carboxylic acid group allows for further functionalization. Its high purity and well-defined stereochemistry ensure reproducibility in applications such as drug discovery, material science, and agrochemical development. The compound’s stability under standard conditions facilitates handling and storage.
trans-3,4-Difluorocinnamic Acid structure
112897-97-9 structure
Product Name:trans-3,4-Difluorocinnamic Acid
CAS No:112897-97-9
MF:C9H6F2O2
MW:184.139549732208
MDL:MFCD00010320
CID:62978
PubChem ID:2733300
Update Time:2025-10-16

trans-3,4-Difluorocinnamic Acid Chemical and Physical Properties

Names and Identifiers

    • (E)-3-(3,4-Difluorophenyl)acrylic acid
    • AKOS 92715
    • 3,4-DIFLUOROCINNAMIC ACID
    • TIMTEC-BB SBB006677
    • RARECHEM BK HW 0122
    • trans-3,4-Difluorocinnamic acid
    • trans-3-(3,4-Difluorophenyl)acrylic Acid
    • trans-3,4-Difluorociamic acid
    • 2-Propenoic acid,3-(3,4-difluorophenyl)-, (E)-
    • trans-3',4'-Difluorocinnamic acid
    • (E)-3,4-Difluorophenylacrylic acid, (2E)-3-(3,4-Difluorophenyl)prop-2-enoic acid
    • trans-3,4-Difluorociamic acid,95%
    • trans-3,4-Difluorocinnamicacid97%
    • trans-3,4-Difluorocinnamic acid 97%
    • (E)-3-(3,4-difluorophenyl)-2-propenoic acid
    • EN300-188769
    • A802692
    • 3-(3,4-Difluoro-phenyl)acrylic acid
    • (E)-3-(3,4-difiuorophenyl)-2-propenoic acid
    • 3-(3,4-Difluorophenyl)acrylic acid
    • (2E)-3-(3,4-difluorophenyl)prop-2-enoic acid
    • AKOS000142594
    • SCHEMBL407484
    • D4161
    • trans-3,4-Difluorocinnamic acid, 95%
    • AKOS025310637
    • 3,4-DIFLUOROCINNAMICACID
    • (E)-3,4-difluorocinnamic acid
    • PS-6475
    • EN300-833110
    • CHEMBL3397061
    • CS-W017014
    • (E)-3-(3,4-difluoro-phenyl)-acrylic acid
    • W-200847
    • DTXSID701347531
    • MFCD00010320
    • 112897-97-9
    • 152152-17-5
    • 2-Propenoic acid, 3-(3,4-difluorophenyl)-, (2E)-
    • AMY609
    • Z2942853625
    • (E)-3-(3,4-difluorophenyl)prop-2-enoic acid
    • 3,4-difluoro cinnamic acid
    • HY-W016298
    • trans-3,4-Difluorocinnamic Acid
    • MDL: MFCD00010320
    • Inchi: 1S/C9H6F2O2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
    • InChI Key: HXBOHZQZTWAEHJ-DUXPYHPUSA-N
    • SMILES: FC1=C(C=CC(/C=C/C(=O)O)=C1)F
    • BRN: 7370322

Computed Properties

  • Exact Mass: 184.03400
  • Monoisotopic Mass: 184.034
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 216
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 37.3A^2

Experimental Properties

  • Color/Form: White powder
  • Density: 1.3056 (estimate)
  • Melting Point: 194.0 to 198.0 deg-C
  • Boiling Point: 281.3±25.0 °C at 760 mmHg
  • Flash Point: 124.0±23.2 °C
  • PSA: 37.30000
  • LogP: 2.06260
  • Solubility: Not determined

trans-3,4-Difluorocinnamic Acid Security Information

  • Symbol: GHS07
  • Prompt:warning
  • 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-S37/39
  • Hazardous Material Identification: Xi
  • Safety Term:S26;S37/39
  • HazardClass:IRRITANT
  • Storage Condition:Store at room temperature
  • Risk Phrases:R36/37/38

trans-3,4-Difluorocinnamic Acid Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

trans-3,4-Difluorocinnamic Acid Pricemore >>

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trans-3,4-Difluorocinnamic Acid Production Method

trans-3,4-Difluorocinnamic Acid Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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Audited Supplier Audited Supplier
(CAS:112897-97-9)trans-3,4-Difluorocinnamic acid
Order Number:LE7326
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 11:57
Price ($):discuss personally

Additional information on trans-3,4-Difluorocinnamic Acid

Comprehensive Guide to trans-3,4-Difluorocinnamic Acid (CAS No. 112897-97-9): Properties, Applications, and Research Insights

trans-3,4-Difluorocinnamic Acid (CAS No. 112897-97-9) is a fluorinated derivative of cinnamic acid, a compound widely studied in organic chemistry and material science. Its unique structure, featuring fluorine atoms at the 3 and 4 positions of the phenyl ring, imparts distinct electronic and steric properties, making it valuable for applications ranging from pharmaceuticals to advanced materials. This article delves into the chemical properties, synthesis methods, and industrial applications of this compound, while addressing common queries such as "What is trans-3,4-Difluorocinnamic Acid used for?" and "How is trans-3,4-Difluorocinnamic Acid synthesized?".

The growing interest in fluorinated organic compounds stems from their enhanced stability, bioavailability, and reactivity compared to non-fluorinated analogs. Researchers and industries are increasingly exploring trans-3,4-Difluorocinnamic Acid for its potential in drug discovery, particularly as a building block for kinase inhibitors and anti-inflammatory agents. Its CAS No. 112897-97-9 is frequently cited in patent literature, underscoring its relevance in cutting-edge research. Additionally, its role in organic electronics, such as OLEDs and photovoltaic materials, aligns with the global push for sustainable technologies.

From a synthetic perspective, trans-3,4-Difluorocinnamic Acid is typically prepared via Knoevenagel condensation or Wittig reactions, with modifications to optimize yield and purity. Analytical techniques like HPLC and NMR spectroscopy are critical for characterizing its trans-configuration and ensuring compliance with industry standards. Users searching for "purity analysis of trans-3,4-Difluorocinnamic Acid" or "suppliers of CAS 112897-97-9" will find this compound listed by specialized chemical providers, often with >98% purity for research-grade use.

Beyond its technical merits, trans-3,4-Difluorocinnamic Acid exemplifies the intersection of green chemistry and innovation. Recent studies highlight its potential in biodegradable polymers and catalysis, addressing environmental concerns. As regulatory frameworks evolve, compounds like this—with well-documented safety profiles—are poised to replace traditional hazardous reagents. This aligns with searches such as "eco-friendly fluorinated compounds" and "sustainable chemical alternatives," reflecting shifting industry priorities.

In summary, trans-3,4-Difluorocinnamic Acid (CAS No. 112897-97-9) is a versatile and high-value chemical with broad applicability. Its integration into life sciences, materials engineering, and environmental solutions underscores its importance in modern research. For those seeking detailed spectral data, synthetic protocols, or commercial sources, this guide serves as a foundational resource, optimized for both technical accuracy and search engine visibility.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:112897-97-9)trans-3,4-Difluorocinnamic acid
LE7326
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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