Cas no 114468-05-2 (3-Bromo-4-(difluoromethyl)pyridine)

3-Bromo-4-(difluoromethyl)pyridine is a halogenated pyridine derivative featuring a difluoromethyl substituent at the 4-position and a bromine atom at the 3-position. This compound serves as a versatile intermediate in pharmaceutical and agrochemical synthesis, where its unique electronic and steric properties facilitate selective functionalization. The presence of both bromine and difluoromethyl groups enhances reactivity in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, enabling efficient derivatization. Its stability under standard conditions and compatibility with diverse reaction conditions make it a valuable building block for developing bioactive molecules. The compound’s structural features are particularly useful in medicinal chemistry for optimizing pharmacokinetic properties.
3-Bromo-4-(difluoromethyl)pyridine structure
114468-05-2 structure
Product Name:3-Bromo-4-(difluoromethyl)pyridine
CAS No:114468-05-2
MF:C6H4BrF2N
MW:208.003467559814
MDL:MFCD18257232
CID:132403
PubChem ID:640481
Update Time:2025-06-14

3-Bromo-4-(difluoromethyl)pyridine Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-4-(difluoromethyl)pyridine
    • Pyridine, 3-bromo-4-(difluoromethyl)- (9CI)
    • Pyridine,3-bromo-4-(difluoromethyl)-
    • 114468-05-2
    • D76051
    • SY265765
    • AKOS005259970
    • SCHEMBL3782423
    • FT-0683864
    • 3-bromo-4-difluoromethyl-pyridine
    • CS-0100044
    • MFCD18257232
    • pyridine, 3-bromo-4-(difluoromethyl)-
    • SB85605
    • InChI=1/C6H4BrF2N/c7-5-3-10-2-1-4(5)6(8)9/h1-3,6
    • EN300-6511024
    • MS-20237
    • DTXSID70348744
    • AT12861
    • TQU0464
    • BBL101559
    • DB-366117
    • STL555355
    • DTXCID00299816
    • MDL: MFCD18257232
    • Inchi: 1S/C6H4BrF2N/c7-5-3-10-2-1-4(5)6(8)9/h1-3,6H
    • InChI Key: KCMMLUVZVBBEFO-UHFFFAOYSA-N
    • SMILES: BrC1C=NC=CC=1C(F)F

Computed Properties

  • Exact Mass: 206.94952
  • Monoisotopic Mass: 206.94952g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 110
  • 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
  • XLogP3: 2.2
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • PSA: 12.89

3-Bromo-4-(difluoromethyl)pyridine Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H319
  • Warning Statement: P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36
  • Safety Instruction: 26
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT
  • Storage Condition:2-8°C

3-Bromo-4-(difluoromethyl)pyridine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI XIAN DING Biotechnology Co., Ltd.
064052-1g
3-Bromo-4-(difluoromethyl)pyridine
114468-05-2 95%
1g
4356CNY 2021-05-07
Alichem
A023022920-250mg
3-Bromo-4-(difluoromethyl)pyridine
114468-05-2 97%
250mg
$666.40 2023-09-04
Alichem
A023022920-500mg
3-Bromo-4-(difluoromethyl)pyridine
114468-05-2 97%
500mg
$1078.00 2023-09-04
Alichem
A023022920-1g
3-Bromo-4-(difluoromethyl)pyridine
114468-05-2 97%
1g
$1780.80 2023-09-04
TRC
B997793-50mg
3-Bromo-4-(difluoromethyl)pyridine
114468-05-2
50mg
$ 70.00 2022-06-06
TRC
B997793-100mg
3-Bromo-4-(difluoromethyl)pyridine
114468-05-2
100mg
$ 95.00 2022-06-06
TRC
B997793-500mg
3-Bromo-4-(difluoromethyl)pyridine
114468-05-2
500mg
$ 365.00 2022-06-06
Chemenu
CM121968-1g
3-bromo-4-(difluoromethyl)pyridine
114468-05-2 95%
1g
$320 2021-08-06
Matrix Scientific
064052-1g
3-Bromo-4-(difluoromethyl)pyridine, 95%
114468-05-2 95%
1g
$238.00 2023-09-08
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
745634-250MG
3-Bromo-4-(difluoromethyl)pyridine
114468-05-2 95%
250MG
¥838.82 2022-02-24

Additional information on 3-Bromo-4-(difluoromethyl)pyridine

Comprehensive Overview of 3-Bromo-4-(difluoromethyl)pyridine (CAS No. 114468-05-2): Properties, Applications, and Industry Insights

3-Bromo-4-(difluoromethyl)pyridine (CAS No. 114468-05-2) is a halogenated pyridine derivative that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features. The compound's molecular formula (C6H4BrF2N) combines a pyridine core with bromine and difluoromethyl substituents, making it a versatile intermediate for synthesizing complex molecules. Researchers frequently search for "3-Bromo-4-(difluoromethyl)pyridine synthesis" or "CAS 114468-05-2 suppliers," reflecting its commercial and scientific relevance.

In recent years, the demand for fluorinated pyridines like 3-Bromo-4-(difluoromethyl)pyridine has surged, driven by their role in drug discovery. Fluorine incorporation often enhances metabolic stability and bioavailability, a hot topic in "medicinal chemistry optimization." The compound's bromine atom also facilitates cross-coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig couplings, which are pivotal in constructing heterocyclic scaffolds for kinase inhibitors or antimicrobial agents.

From an industrial perspective, CAS 114468-05-2 is often discussed alongside "high-value chemical intermediates" and "custom synthesis services." Its applications extend to materials science, where fluorinated pyridines contribute to liquid crystals or OLED materials. Environmental considerations, such as "green chemistry in halogenation," are increasingly shaping synthesis protocols for this compound, aligning with global sustainability trends.

Analytical data for 3-Bromo-4-(difluoromethyl)pyridine typically includes NMR spectra (1H, 13C, 1?F), HPLC purity, and melting point characterization. These metrics are critical for quality control, as highlighted in searches like "pyridine derivative analytical methods." The compound's stability under various conditions (pH, temperature) is another focal point for formulators.

Emerging trends link 114468-05-2 to "AI-assisted molecular design," where machine learning models predict optimal substitution patterns for target activity. This synergy between experimental chemistry and computational tools underscores the compound's future potential in accelerating hit-to-lead optimization pipelines.

Recommended suppliers
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
SHOCHEM(SHANGHAI) CO.,lTD
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hubei Cuiyuan Biotechnology Co.,Ltd
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.