Cas no 98191-30-1 (3,5-Dichloro-4-fluorobenzoic acid)

3,5-Dichloro-4-fluorobenzoic acid is a halogenated benzoic acid derivative with significant utility in organic synthesis and pharmaceutical intermediates. Its distinct substitution pattern—chloro groups at the 3 and 5 positions and a fluoro group at the 4 position—enhances its reactivity in electrophilic aromatic substitution and metal-catalyzed coupling reactions. The compound's high purity and stability make it suitable for precision applications in agrochemical and medicinal chemistry research. Its strong electron-withdrawing properties also facilitate the synthesis of complex molecules, particularly in the development of active pharmaceutical ingredients (APIs). The product is typically supplied as a crystalline solid, ensuring consistent performance in laboratory and industrial settings.
3,5-Dichloro-4-fluorobenzoic acid structure
98191-30-1 structure
Product Name:3,5-Dichloro-4-fluorobenzoic acid
CAS No:98191-30-1
MF:C7H3Cl2FO2
MW:209.001923799515
MDL:MFCD03840463
CID:803125
PubChem ID:19971303
Update Time:2025-05-24

3,5-Dichloro-4-fluorobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3,5-Dichloro-4-fluorobenzoic acid
    • Benzoic acid,3,5-dichloro-4-fluoro-
    • 3,5-Dichloro-4-fluoro-benzoic acid
    • FT-0651289
    • A900584
    • 98191-30-1
    • DTXSID40601570
    • EN300-94780
    • SY064679
    • CK1065
    • AC-3946
    • MFCD03840463
    • AM84173
    • PS-10145
    • Benzoic acid, 3,5-dichloro-4-fluoro-
    • J-511286
    • 3,5-Dichloro-4-fluorobenzoicacid
    • CS-0043313
    • AKOS015890020
    • CRRHVMZOOBWYRG-UHFFFAOYSA-N
    • SCHEMBL667661
    • A19990
    • DB-004605
    • MDL: MFCD03840463
    • Inchi: 1S/C7H3Cl2FO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,(H,11,12)
    • InChI Key: CRRHVMZOOBWYRG-UHFFFAOYSA-N
    • SMILES: ClC1C(=C(C=C(C(=O)O)C=1)Cl)F

Computed Properties

  • Exact Mass: 207.94900
  • Monoisotopic Mass: 207.949
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 176
  • 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
  • Topological Polar Surface Area: 37.3A^2
  • XLogP3: 2.8

Experimental Properties

  • Density: 1.606
  • Boiling Point: 317.7°Cat760mmHg
  • Flash Point: 146°C
  • Refractive Index: 1.574
  • PSA: 37.30000
  • LogP: 2.83070

3,5-Dichloro-4-fluorobenzoic acid Security Information

  • Hazardous Material Identification: Xi

3,5-Dichloro-4-fluorobenzoic 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%

3,5-Dichloro-4-fluorobenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
051080-1g
3,5-Dichloro-4-fluorobenzoic acid
98191-30-1 95%
1g
£10.00 2022-03-01
Fluorochem
051080-5g
3,5-Dichloro-4-fluorobenzoic acid
98191-30-1 95%
5g
£20.00 2022-03-01
Fluorochem
051080-25g
3,5-Dichloro-4-fluorobenzoic acid
98191-30-1 95%
25g
£60.00 2022-03-01
Fluorochem
051080-100g
3,5-Dichloro-4-fluorobenzoic acid
98191-30-1 95%
100g
£186.00 2022-03-01
Alichem
A013026338-250mg
3,5-Dichloro-4-fluorobenzoic acid
98191-30-1 97%
250mg
$499.20 2023-08-31
Alichem
A013026338-500mg
3,5-Dichloro-4-fluorobenzoic acid
98191-30-1 97%
500mg
$839.45 2023-08-31
Alichem
A013026338-1g
3,5-Dichloro-4-fluorobenzoic acid
98191-30-1 97%
1g
$1445.30 2023-08-31
Chemenu
CM157365-100g
3,5-Dichloro-4-fluorobenzoic acid
98191-30-1 95%
100g
$320 2021-06-17
TRC
D437070-100mg
3,5-Dichloro-4-fluorobenzoic Acid
98191-30-1
100mg
$64.00 2023-05-18
TRC
D437070-1g
3,5-Dichloro-4-fluorobenzoic Acid
98191-30-1
1g
$ 60.00 2022-06-05

Additional information on 3,5-Dichloro-4-fluorobenzoic acid

Comprehensive Overview of 3,5-Dichloro-4-fluorobenzoic acid (CAS No. 98191-30-1): Properties, Applications, and Industry Insights

3,5-Dichloro-4-fluorobenzoic acid (CAS No. 98191-30-1) is a halogen-substituted benzoic acid derivative that has garnered significant attention in pharmaceutical and agrochemical research. With its unique molecular structure featuring chloro and fluoro substituents, this compound serves as a critical intermediate in synthesizing advanced active ingredients. Its chemical stability and reactivity make it indispensable for designing novel compounds with enhanced bioactivity.

The growing demand for halogenated aromatic compounds in drug discovery aligns with trends in precision medicine and sustainable agriculture. Researchers frequently explore 3,5-Dichloro-4-fluorobenzoic acid for its potential in developing crop protection agents and small-molecule therapeutics. A surge in Google searches for terms like "fluorobenzoic acid derivatives in drug design" and "chloro-fluoro benzoic acid applications" reflects industry interest in optimizing such building blocks.

From a synthetic chemistry perspective, the electron-withdrawing effects of its substituents enhance the compound’s utility in cross-coupling reactions and carboxyl group modifications. Recent studies highlight its role in creating proteolysis-targeting chimeras (PROTACs), a hot topic in oncology research. This aligns with frequent queries about "halogenated benzoic acids in targeted protein degradation" across academic forums.

Environmental considerations are paramount when discussing halogenated compounds. Manufacturers of 3,5-Dichloro-4-fluorobenzoic acid increasingly adopt green chemistry principles to minimize waste, responding to searches for "eco-friendly synthesis of fluorinated aromatics". Analytical techniques like HPLC-MS and NMR spectroscopy ensure rigorous quality control, addressing concerns about compound purity in peer-reviewed literature.

The compound’s crystalline properties and solubility profile (often searched as "3,5-Dichloro-4-fluorobenzoic acid solubility in organic solvents") facilitate its formulation in various industrial processes. Patent databases reveal its incorporation into electronic materials, particularly for organic semiconductors, showcasing versatility beyond life sciences.

Regulatory compliance remains a key discussion point, with REACH and FDA guidelines shaping production standards. Laboratories handling 98191-30-1 prioritize safe handling protocols, reflecting search trends around "halogenated acid storage best practices". The compound’s thermal stability data (commonly queried as "decomposition temperature of 3,5-Dichloro-4-fluorobenzoic acid") is crucial for process safety assessments.

Emerging applications in bioconjugation chemistry position this compound as a tool for developing diagnostic probes and biomaterials. The rise of click chemistry methodologies has renewed interest in its carboxyl activation potential, evident from citations in recent ACS journal publications. This intersects with frequent searches for "fluorobenzoic acid linker molecules" in biotech circles.

Market analysts note steady growth in the fine chemicals sector for such intermediates, driven by pharmaceutical outsourcing trends. Suppliers emphasize batch-to-batch consistency and regulatory documentation—topics frequently appearing in procurement RFPs for CAS 98191-30-1. Technical datasheets typically include detailed spectral characterization to meet researcher demands for structural verification data.

In academic settings, 3,5-Dichloro-4-fluorobenzoic acid serves as a model compound for teaching electrophilic aromatic substitution principles. Its structure-activity relationships are often compared to simpler benzoic acids in medicinal chemistry coursework, corresponding to search terms like "teaching halogen effects in organic chemistry". The compound’s X-ray crystallography data provides valuable insights into molecular packing phenomena.

Future research directions may explore its metal-organic framework (MOF) applications or catalytic uses, areas generating substantial scholarly attention. The compound’s balanced lipophilicity (logP ~2.8) makes it particularly interesting for ADME studies, a recurring theme in pharmacokinetics optimization discussions. These facets ensure 98191-30-1 remains relevant across multiple scientific disciplines.

Recommended suppliers
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hunan Well Medicine Synthesis Technology Co., Ltd.
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
SHOCHEM(SHANGHAI) CO.,lTD