Cas no 921630-14-0 (2-bromo-5-chloropyridine-4-carbaldehyde)

2-bromo-5-chloropyridine-4-carbaldehyde structure
921630-14-0 structure
Product Name:2-bromo-5-chloropyridine-4-carbaldehyde
CAS No:921630-14-0
MF:C6H3BrClNO
MW:220.451119661331
MDL:MFCD09907898
CID:796861
PubChem ID:45480345
Update Time:2025-07-20

2-bromo-5-chloropyridine-4-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-5-chloroisonicotinaldehyde
    • 2-bromo-5-chloro-4-pyridinecarboxaldehyde
    • 2-bromo-5-chloropyridine-4-carbaldehyde
    • 2-Bromo-5-chloropyridine-4-carboxaldehyde
    • 4-Pyridinecarboxaldehyde, 2-bromo-5-chloro-
    • 2-Bromo-5-chloro-4-pyridinecarboxaldehyde (ACI)
    • AC-27971
    • AS-19903
    • OBHVMEJUYJSWKS-UHFFFAOYSA-N
    • EN300-205072
    • SCHEMBL660973
    • AKOS015835740
    • WLB63014
    • DTXSID70670315
    • 2-BROMO-5-CHLORO-PYRIDINE-4-CARBALDEHYDE
    • DB-082110
    • 4-Pyridinecarboxaldehyde,2-bromo-5-chloro-
    • MFCD09907898
    • CS-0195770
    • 921630-14-0
    • AB54689
    • MDL: MFCD09907898
    • Inchi: 1S/C6H3BrClNO/c7-6-1-4(3-10)5(8)2-9-6/h1-3H
    • InChI Key: OBHVMEJUYJSWKS-UHFFFAOYSA-N
    • SMILES: O=CC1C(Cl)=CN=C(Br)C=1

Computed Properties

  • Exact Mass: 218.90900
  • Monoisotopic Mass: 218.909
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 133
  • 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: 30A^2
  • XLogP3: 2

Experimental Properties

  • Density: 1.8
  • Melting Point: 66-68°C
  • Boiling Point: 281.936 °C at 760 mmHg
  • Flash Point: 124.311 °C
  • Refractive Index: 1.632
  • PSA: 29.96000
  • LogP: 2.31000

2-bromo-5-chloropyridine-4-carbaldehyde Security Information

2-bromo-5-chloropyridine-4-carbaldehyde 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%

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2-bromo-5-chloropyridine-4-carbaldehyde Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Lithium diisopropylamide Solvents: Tetrahydrofuran ;  rt → -70 °C; 15 min, -70 °C; < -65 °C; 30 min, -70 °C
1.2 20 min, < -70 °C; 40 min, -70 °C; -78 °C → rt
Reference
Preparation of primary amines as renin inhibitors
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Lithium diisopropylamide Solvents: Tetrahydrofuran ,  Hexane ;  15 min, -70 °C; < -65 °C; 30 min, -70 °C
1.2 20 min, < -70 °C; 40 min, -70 °C; -70 °C → rt
1.3 Reagents: Sodium hydroxide Solvents: Water
Reference
Preparation of secondary amines as renin inhibitors
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Lithium diisopropylamide Solvents: Tetrahydrofuran ;  15 min, -70 °C; 30 min, -70 °C
1.2 20 min, -70 °C; 40 min, -70 °C; -70 °C → rt
1.3 Reagents: Sodium hydroxide Solvents: Water
Reference
Preparation of benzenepropanamides as non-peptidic renin inhibitors
, World Intellectual Property Organization, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Diisopropylamine ,  Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  30 min, -5 °C; -5 °C → -70 °C
1.2 Solvents: Tetrahydrofuran ;  15 min, -70 °C; < -65 °C; 30 min, -70 °C
1.3 20 min, < -70 °C; 40 min, -70 °C; -70 °C → rt
1.4 Reagents: Sodium hydroxide Solvents: Water ;  rt
Reference
New amines as renin inhibitors and their preparation, pharmaceutical compositions and use in the treatment of cardiovascular and renal diseases
, World Intellectual Property Organization, , ,

2-bromo-5-chloropyridine-4-carbaldehyde Raw materials

2-bromo-5-chloropyridine-4-carbaldehyde Preparation Products

Additional information on 2-bromo-5-chloropyridine-4-carbaldehyde

Comprehensive Overview of 2-Bromo-5-chloropyridine-4-carbaldehyde (CAS No. 921630-14-0)

2-Bromo-5-chloropyridine-4-carbaldehyde (CAS No. 921630-14-0) is a highly versatile heterocyclic aldehyde widely utilized in pharmaceutical, agrochemical, and material science research. This compound, featuring both bromo and chloro substituents on a pyridine ring, serves as a critical building block for synthesizing complex molecules. Its unique structure enables diverse functionalization, making it invaluable in cross-coupling reactions, catalysis, and drug discovery.

The growing demand for halogenated pyridine derivatives like 2-bromo-5-chloropyridine-4-carbaldehyde is driven by their role in developing targeted therapies and sustainable agrochemicals. Researchers frequently search for "pyridine aldehyde applications" or "CAS 921630-14-0 synthesis," reflecting its relevance in modern chemistry. Its compatibility with palladium-catalyzed reactions (e.g., Suzuki-Miyaura couplings) aligns with trends toward green chemistry and atom-efficient methodologies.

From a technical perspective, 921630-14-0 exhibits notable stability under inert atmospheres, though storage at low temperatures is recommended to preserve its aldehyde functionality. Analytical data (e.g., 1H NMR, HPLC) confirm high purity (>98%), meeting standards for high-throughput screening and preclinical studies. Recent patents highlight its use in kinase inhibitor development, addressing diseases like cancer and inflammation.

Environmental and regulatory considerations for 2-bromo-5-chloropyridine-4-carbaldehyde emphasize proper waste disposal due to its halogen content. However, its low acute toxicity (per OECD guidelines) facilitates safe handling in controlled settings. Innovations in biodegradable catalysts further enhance its appeal for sustainable synthesis.

In material science, this compound contributes to organic electronic materials, particularly in OLED and photovoltaic applications. Its electron-withdrawing groups improve charge transport, a hot topic in "organic semiconductor design" searches. Suppliers often provide custom synthesis services to meet niche demands, underscoring its commercial importance.

Future research directions may explore 921630-14-0 in AI-assisted drug design or flow chemistry systems, aligning with industry 4.0 trends. Its balanced reactivity and scalability position it as a staple in medicinal chemistry libraries, answering frequent queries like "how to modify pyridine aldehydes" or "CAS 921630-14-0 suppliers."

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