Cas no 1120-87-2 (4-bromopyridine)

4-Bromopyridine (C5H4BrN) is a halogenated pyridine derivative widely used as a versatile intermediate in organic synthesis. Its bromine substituent at the 4-position enables efficient cross-coupling reactions, such as Suzuki-Miyaura and Negishi couplings, facilitating the introduction of pyridine motifs into complex molecules. The compound exhibits good stability and reactivity, making it valuable in pharmaceutical, agrochemical, and materials science applications. Its crystalline solid form and moderate solubility in common organic solvents enhance handling precision in laboratory settings. 4-Bromopyridine is particularly useful for constructing heterocyclic frameworks and functionalized pyridines, serving as a key building block in medicinal chemistry and catalyst development.
4-bromopyridine structure
4-bromopyridine structure
Product Name:4-bromopyridine
CAS No:1120-87-2
MF:C5H4BrN
MW:157.995960235596
MDL:MFCD00234035
CID:83405
PubChem ID:14268
Update Time:2025-11-07

4-bromopyridine Chemical and Physical Properties

Names and Identifiers

    • 4-bromopyridine
    • 4-Bromopyridinehydrochloride
    • 4-brompyridine
    • 4-Br-pyridine
    • 4-pyridyl bromide
    • 4-pyridyl-Br
    • Pyridin-4-yl bromide
    • Pyridine,4-bromo
    • CS-M0097
    • SB75320
    • AS-56635
    • DTXSID1061520
    • AM81308
    • 1120-87-2
    • AB05093
    • Q229935
    • SY002728
    • 4-bromopyridine pound>>4-Bromopyridinehydrochloride
    • A802483
    • 4-bromo pyridine
    • InChI=1/C5H4BrN/c6-5-1-3-7-4-2-5/h1-4
    • 4-Bromo-Pyridine
    • CHEMBL325044
    • CHEBI:51576
    • FT-0602716
    • NS00045694
    • AC-907/25004363
    • 4-Bromopyridine #
    • EINECS 214-320-5
    • Pyridine, 4-bromo-
    • AKOS000445978
    • SCHEMBL8135
    • BCP21648
    • MFCD00234035
    • BBL009972
    • DB-006740
    • ALBB-031101
    • DB-023813
    • p-bromopyridine
    • STK801371
    • DTXCID3033274
    • MDL: MFCD00234035
    • Inchi: 1S/C5H4BrN/c6-5-1-3-7-4-2-5/h1-4H
    • InChI Key: BSDGZUDFPKIYQG-UHFFFAOYSA-N
    • SMILES: BrC1C=CN=CC=1

Computed Properties

  • Exact Mass: 156.95300
  • Monoisotopic Mass: 156.952712
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 50
  • 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: 12.9

Experimental Properties

  • Density: 1.6450
  • Melting Point: 53-56?°C(lit.)
  • Boiling Point: 183°C (rough estimate)
  • Flash Point: 224?°F
  • Refractive Index: 1.5694 (estimate)
  • PSA: 12.89000
  • LogP: 1.84410

4-bromopyridine Security Information

  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38

4-bromopyridine Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-bromopyridine Pricemore >>

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4-bromopyridine Related Literature

Additional information on 4-bromopyridine

Comprehensive Guide to 4-Bromopyridine (CAS No. 1120-87-2): Properties, Applications, and Industry Insights

4-Bromopyridine (CAS No. 1120-87-2) is a versatile heterocyclic organic compound widely used in pharmaceutical synthesis, agrochemical production, and material science. As a brominated pyridine derivative, it serves as a critical building block for cross-coupling reactions, particularly in Suzuki-Miyaura and Negishi couplings. Its molecular structure (C5H4BrN) features a bromine atom at the 4-position of the pyridine ring, enabling selective functionalization—a property highly valued in modern drug discovery and catalyst design.

Recent trends in green chemistry have spurred interest in optimizing synthetic routes for 4-bromopyridine. Researchers are exploring metal-free catalysis and microwave-assisted synthesis to improve yield while reducing environmental impact. Analytical techniques like HPLC purity testing and GC-MS characterization ensure compliance with stringent pharmaceutical-grade standards, addressing growing concerns about chemical traceability in supply chains.

The compound’s role in OLED materials has gained attention due to the booming flexible display market. When used as a precursor for electron-transport layers, 4-bromopyridine derivatives enhance device efficiency—a hot topic in materials science forums. Patent analyses reveal a 30% increase in applications related to organic semiconductors since 2020, reflecting its importance in next-gen electronics.

Safety profiles of halogenated pyridines remain a frequent search query among laboratory professionals. Proper handling requires nitrile gloves and fume hoods, though its classification falls outside hazardous categories under standard conditions. Storage recommendations emphasize argon-filled containers to prevent degradation, a detail often overlooked in chemical procurement workflows.

Market intelligence indicates rising demand from Asia-Pacific contract research organizations, driven by expanding generic drug manufacturing. Suppliers now offer custom synthesis services for isotopic-labeled variants (13C, 15N) to support metabolomics research—an emerging niche in life sciences. This aligns with increasing Google searches for "stable isotope pharmaceuticals" and "pyridine-based probes."

Innovative applications include its use as a ligand in transition metal catalysis for C-H activation reactions, a technique revolutionizing complex molecule assembly. Recent ACS journal publications highlight modified 4-bromopyridine complexes that achieve unprecedented enantioselectivity in asymmetric synthesis—addressing industry pain points in chiral drug production.

Environmental fate studies show 4-bromopyridine undergoes aerobic biodegradation within 28 days under OECD 301B guidelines, making it preferable to persistent halogenated compounds. This data responds to growing regulatory focus on sustainable chemical design, particularly in REACH compliance documentation.

For analytical chemists, HPLC method development for 4-bromopyridine quantification typically employs C18 reverse-phase columns with UV detection at 254 nm. Method optimization tips are among the top-viewed content in chromatography webinars, reflecting practical challenges in impurity profiling.

The compound’s crystallographic data (monoclinic space group P21/c) aids in computational chemistry modeling, with DFT calculations predicting its reactivity in SNAr reactions. Such computational approaches reduce experimental screening time—a key advantage in high-throughput discovery platforms.

Emerging flow chemistry protocols demonstrate continuous processing of 4-bromopyridine intermediates with 90% reduced solvent consumption. These advances align with circular economy principles now prioritized by EU chemical regulations, offering answers to popular queries about "solvent-free organic synthesis."

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