Cas no 79544-26-6 (2,3-Dichloro-6-fluorobenzonitrile)

2,3-Dichloro-6-fluorobenzonitrile is a halogenated benzonitrile derivative with the molecular formula C7H2Cl2FN. This compound is characterized by the presence of two chlorine atoms at the 2- and 3-positions, a fluorine atom at the 6-position, and a nitrile functional group, making it a versatile intermediate in organic synthesis. Its unique substitution pattern enhances reactivity in cross-coupling reactions and nucleophilic aromatic substitutions, facilitating the preparation of complex agrochemicals, pharmaceuticals, and specialty chemicals. The electron-withdrawing effects of the halogen atoms and nitrile group contribute to its stability and suitability for further functionalization. It is typically handled under controlled conditions due to its potential reactivity and should be stored in a cool, dry environment.
2,3-Dichloro-6-fluorobenzonitrile structure
79544-26-6 structure
Product Name:2,3-Dichloro-6-fluorobenzonitrile
CAS No:79544-26-6
MF:C7H2Cl2FN
MW:190.001883029938
CID:90758
PubChem ID:3767163
Update Time:2025-08-05

2,3-Dichloro-6-fluorobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2,3-Dichloro-6-fluorobenzonitrile
    • MFCD04115878
    • SCHEMBL8119989
    • CS-0319414
    • 79544-26-6
    • JS-4251
    • AKOS015850388
    • DTXSID80396135
    • DB-103893
    • MDL: MFCD04115878
    • Inchi: 1S/C7H2Cl2FN/c8-5-1-2-6(10)4(3-11)7(5)9/h1-2H
    • InChI Key: PISOOQLALMAJRE-UHFFFAOYSA-N
    • SMILES: ClC1C(=CC=C(C=1C#N)F)Cl

Computed Properties

  • Exact Mass: 188.95500
  • Monoisotopic Mass: 188.955
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 188
  • 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: 23.8A^2
  • XLogP3: 3

Experimental Properties

  • PSA: 23.79000
  • LogP: 3.00418

2,3-Dichloro-6-fluorobenzonitrile Security Information

  • HazardClass:6.1
  • PackingGroup:III
  • Packing Group:III

2,3-Dichloro-6-fluorobenzonitrile Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. 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

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2,3-Dichloro-6-fluorobenzonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Apollo Scientific
PC302428-1g
2,3-Dichloro-6-fluorobenzonitrile
79544-26-6 98%
1g
£46.00 2025-02-21
Apollo Scientific
PC302428-5g
2,3-Dichloro-6-fluorobenzonitrile
79544-26-6 98%
5g
£140.00 2025-02-21
A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI
H26584-1g
2,3-Dichloro-6-fluorobenzonitrile, 97%
79544-26-6 97%
1g
¥2632.00 2023-03-15
A FA AI SHA , SAI MO FEI SHI ER KE JI QI XIA GONG SI
H26584-5g
2,3-Dichloro-6-fluorobenzonitrile, 97%
79544-26-6 97%
5g
¥8137.00 2023-03-15
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1390084-1g
2,3-Dichloro-6-fluorobenzonitrile
79544-26-6 95+%
1g
¥705.00 2024-07-28
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1390084-5g
2,3-Dichloro-6-fluorobenzonitrile
79544-26-6 95+%
5g
¥2310.00 2024-07-28
A2B Chem LLC
AB59827-25g
2,3-Dichloro-6-fluorobenzonitrile
79544-26-6
25g
$844.00 2024-04-19
abcr
AB212162-1g
2,3-Dichloro-6-fluorobenzonitrile; .
79544-26-6
1g
€155.30 2024-06-10
abcr
AB212162-5g
2,3-Dichloro-6-fluorobenzonitrile; .
79544-26-6
5g
€287.30 2025-04-16
abcr
AB212162-10g
2,3-Dichloro-6-fluorobenzonitrile; .
79544-26-6
10g
€450.10 2025-04-16

Additional information on 2,3-Dichloro-6-fluorobenzonitrile

2,3-Dichloro-6-fluorobenzonitrile (CAS 79544-26-6): Properties, Applications, and Market Insights

2,3-Dichloro-6-fluorobenzonitrile (CAS 79544-26-6) is a specialized halogenated benzonitrile derivative that has gained significant attention in pharmaceutical and agrochemical research. This compound, with its unique combination of fluorine and chlorine substituents, offers distinct chemical properties that make it valuable for various synthetic applications. The molecular formula C7H2Cl2FN and molecular weight of 190.00 g/mol position this compound as an important building block in modern organic synthesis.

The growing interest in fluorinated aromatic compounds has propelled research into 2,3-dichloro-6-fluorobenzonitrile synthesis and applications. Recent studies highlight its role as a key intermediate in the development of novel crop protection agents and pharmaceutical active ingredients. The compound's electron-withdrawing properties, imparted by the nitrile group and halogen atoms, make it particularly useful in nucleophilic aromatic substitution reactions, a fact that has been extensively documented in recent patent literature.

From a physicochemical perspective, 2,3-Dichloro-6-fluorobenzonitrile typically appears as a white to off-white crystalline powder with a melting point range of 89-92°C. Its solubility profile shows moderate solubility in common organic solvents like dichloromethane, ethyl acetate, and acetonitrile, while being practically insoluble in water. These properties are crucial for researchers exploring fluorobenzonitrile derivatives for various applications, particularly in the context of developing more environmentally friendly chemical processes.

The synthetic applications of 79544-26-6 are particularly noteworthy in the pharmaceutical sector, where it serves as a precursor for heterocyclic compound synthesis. Recent publications have demonstrated its utility in creating biologically active molecules with potential applications in medicinal chemistry. The compound's structural features allow for diverse modifications, making it a versatile intermediate in drug discovery programs focused on central nervous system and metabolic disorder targets.

In agrochemical research, 2,3-dichloro-6-fluorobenzonitrile price and availability have become important considerations for manufacturers developing new crop protection solutions. The compound's unique substitution pattern contributes to the development of novel pesticides with improved efficacy and reduced environmental impact. Market analysis indicates growing demand for fluorinated agrochemical intermediates, with CAS 79544-26-6 positioned as a valuable component in this sector.

The global market for 2,3-Dichloro-6-fluorobenzonitrile has shown steady growth, driven by increasing R&D investments in both pharmaceutical and agricultural sectors. Quality specifications for 79544-26-6 suppliers typically require ≥98% purity, with strict controls on related substances. Recent technological advancements in halogenated compound synthesis have improved production efficiency, making this compound more accessible to researchers worldwide.

From an environmental standpoint, studies on 2,3-dichloro-6-fluorobenzonitrile safety and handling have led to improved industrial practices. While not classified as hazardous under current regulations, proper laboratory handling of fluorobenzonitriles remains essential. The compound's stability and storage requirements (typically at 2-8°C in airtight containers) are important considerations for both industrial and research applications.

Recent innovations in green chemistry approaches have explored more sustainable methods for producing halogenated benzonitrile derivatives. These developments address growing concerns about chemical manufacturing sustainability while maintaining the high purity standards required for pharmaceutical and agrochemical applications. The future prospects for 79544-26-6 appear promising, with potential applications expanding into materials science and specialty chemicals.

For researchers considering 2,3-Dichloro-6-fluorobenzonitrile purchase, it's important to evaluate suppliers based on consistent quality, reliable CAS 79544-26-6 availability, and technical support. The compound's role in medicinal chemistry research continues to grow, particularly in the development of small molecule therapeutics targeting various disease pathways. Its unique structural features contribute to the creation of compounds with improved pharmacokinetic properties and target specificity.

Analytical methods for 2,3-dichloro-6-fluorobenzonitrile characterization typically involve HPLC, GC-MS, and NMR techniques. These methods ensure the compound meets the stringent purity requirements for pharmaceutical applications. The growing body of literature on fluorinated building blocks highlights the continued importance of compounds like 79544-26-6 in modern synthetic chemistry.

In conclusion, 2,3-Dichloro-6-fluorobenzonitrile (CAS 79544-26-6) represents a valuable fluorinated aromatic intermediate with diverse applications across multiple industries. Its unique chemical properties, combined with growing market demand for specialty fluorochemicals, ensure its continued relevance in scientific research and industrial applications. As synthetic methodologies advance and new applications emerge, this compound is likely to maintain its position as an important tool for chemists developing innovative solutions in pharmaceuticals, agriculture, and beyond.

Recommended suppliers
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Inner Mongolia Xinhong Biological Technology Co., Ltd
Enjia Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Enjia Trading Co., Ltd
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
SHOCHEM(SHANGHAI) CO.,lTD