Cas no 2252-50-8 (2-Chloro-5-fluorobenzoic acid)

2-Chloro-5-fluorobenzoic acid is a halogenated benzoic acid derivative with the molecular formula C?H?ClFO?. This compound is characterized by the presence of both chloro and fluoro substituents on the aromatic ring, which enhance its reactivity and utility as an intermediate in organic synthesis. Its distinct substitution pattern makes it valuable for constructing complex molecules in pharmaceuticals, agrochemicals, and specialty chemicals. The electron-withdrawing effects of the halogens contribute to its stability and compatibility with various reaction conditions, including coupling and carboxylation processes. It is typically supplied as a white to off-white crystalline powder with high purity, ensuring consistent performance in synthetic applications.
2-Chloro-5-fluorobenzoic acid structure
2-Chloro-5-fluorobenzoic acid structure
Product Name:2-Chloro-5-fluorobenzoic acid
CAS No:2252-50-8
MF:C7H4ClFO2
MW:174.556864738464
MDL:MFCD00156967
CID:42685
PubChem ID:302888
Update Time:2025-10-21

2-Chloro-5-fluorobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-5-fluorobenzoic acid
    • 2-fluoro-4-bromobenzoic acid
    • BUTTPARK 19\01-68
    • 5-FLUORO-2-CHLOROBENZOIC ACID
    • RARECHEM AL BO 2229
    • 2-Chloro-5-Fluorobenzoic
    • 2-Chlor-5-fluor-benzoesaeure
    • C2088
    • 2252-50-8
    • A4822
    • 2-Chloro-5-fluorobenzoicacid
    • AB04161
    • MIZKCMSSYVUZKD-UHFFFAOYSA-N
    • 2-chloro-5-fluoro-benzoic acid
    • BS-3947
    • AB01325247-02
    • NSC190631
    • NSC-190631
    • SCHEMBL786240
    • NSC 190631
    • DTXSID40307282
    • 2-Chloro-5-fluorobenzoic acid, AldrichCPR
    • CS-W002454
    • 2-chloro-5-fluoro benzoic acid
    • AC-3929
    • NCGC00330744-01
    • AM62233
    • MFCD00156967
    • FT-0634168
    • EN300-117645
    • SY019215
    • Z1201619425
    • AKOS005259289
    • DB-011388
    • DTXCID60258409
    • STK802600
    • MDL: MFCD00156967
    • Inchi: 1S/C7H4ClFO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)
    • InChI Key: MIZKCMSSYVUZKD-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1C(=O)O)F

Computed Properties

  • Exact Mass: 173.98800
  • Monoisotopic Mass: 173.988
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 163
  • 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: nothing
  • Topological Polar Surface Area: 37.3A^2

Experimental Properties

  • Color/Form: White powder
  • Density: 1.477 3
  • Melting Point: 148.0 to 152.0 deg-C
  • Boiling Point: 275.3℃/760mmHg
  • Flash Point: 120.3 oC
  • PSA: 37.30000
  • LogP: 2.17730
  • Solubility: Insoluble

2-Chloro-5-fluorobenzoic acid Security Information

2-Chloro-5-fluorobenzoic acid Customs Data

  • HS CODE:2915110000
  • 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%

2-Chloro-5-fluorobenzoic acid Pricemore >>

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2-Chloro-5-fluorobenzoic acid Related Literature

Additional information on 2-Chloro-5-fluorobenzoic acid

Comprehensive Guide to 2-Chloro-5-fluorobenzoic acid (CAS No. 2252-50-8): Properties, Applications, and Industry Insights

2-Chloro-5-fluorobenzoic acid (CAS No. 2252-50-8) is a halogen-substituted benzoic acid derivative with significant relevance in pharmaceutical and agrochemical research. This compound, characterized by its chloro and fluoro functional groups, serves as a versatile intermediate in organic synthesis. Its molecular formula, C7H4ClFO2, and molecular weight of 174.56 g/mol make it a critical building block for designing advanced molecules. Researchers frequently search for "2-Chloro-5-fluorobenzoic acid synthesis" or "CAS 2252-50-8 applications", reflecting its growing demand in R&D.

The compound’s physicochemical properties include a melting point range of 150–155°C and moderate solubility in polar solvents like methanol and dimethyl sulfoxide (DMSO). Its stability under standard conditions makes it suitable for cross-coupling reactions, a topic trending in green chemistry discussions. Recent studies highlight its role in Suzuki-Miyaura coupling, a popular method for creating biaryl structures—key motifs in drug discovery. Users often inquire about "2-Chloro-5-fluorobenzoic acid solubility" or "halogenated benzoic acid uses", underscoring its practical importance.

In the pharmaceutical industry, 2-Chloro-5-fluorobenzoic acid is a precursor for active pharmaceutical ingredients (APIs). It contributes to the synthesis of nonsteroidal anti-inflammatory drugs (NSAIDs) and antifungal agents, aligning with the surge in searches for "fluorinated drug intermediates". The compound’s meta-substitution pattern enhances metabolic stability, a feature highly valued in medicinal chemistry. With the rise of personalized medicine, queries like "CAS 2252-50-8 in drug development" have increased, reflecting its role in targeted therapies.

Beyond pharmaceuticals, this compound finds applications in agrochemical formulations. Its halogen atoms improve pesticidal activity, addressing global concerns about crop protection and sustainable agriculture. Searches for "2-Chloro-5-fluorobenzoic acid in herbicides" correlate with industry efforts to develop eco-friendly alternatives. Additionally, its use in material science, particularly for liquid crystal and polymer modifications, is gaining traction, as seen in queries like "halogenated aromatics for advanced materials".

Quality control and analytical methods for CAS 2252-50-8 are another hot topic. Techniques such as HPLC, GC-MS, and NMR spectroscopy ensure purity, critical for compliance with Good Manufacturing Practices (GMP). Users frequently explore "2-Chloro-5-fluorobenzoic acid purity standards", emphasizing the need for reliable sourcing. Suppliers often provide certificates of analysis (CoA), a term increasingly searched alongside the compound’s name.

Environmental and regulatory aspects of 2-Chloro-5-fluorobenzoic acid are also under scrutiny. While not classified as hazardous under current guidelines, proper handling and disposal are advised. Searches for "benzoic acid derivatives safety" reflect heightened awareness of chemical stewardship. The compound’s biodegradability and ecotoxicology data are areas of ongoing research, matching trends in green chemistry inquiries.

In summary, 2-Chloro-5-fluorobenzoic acid (CAS No. 2252-50-8) is a multifaceted compound with expanding applications across industries. Its synthesis, properties, and uses align with contemporary interests in drug discovery, sustainable agriculture, and advanced materials. By addressing common search queries like "fluorinated aromatic acids" or "CAS 2252-50-8 suppliers", this guide aims to bridge knowledge gaps while adhering to SEO best practices for visibility in scientific and industrial communities.

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