2-Bromo-3-fluoroisonicotinaldehído - ≥97% , CAS No.1227572-94-2

CAS: 1227572-94-2 Cat. No.: B352690 Fórmula: C₆H₃BrFNO Peso molecular: 204 Número EC: 806-763-3 PubChem CID: 54759107

GRADE & PURITY ≥97%

Synonyms

SB55281 | AS-54448 | 2-Bromo-3-fluoroisonicotinaldehído hidrato | s10137 | 2-bromo-3-fluoropiridina-4-carbaldehído;hidrato | SCHEMBL17748269 | 2-Bromo-3-fluoro-4-formilpiridina | 2-Bromo-3-fluoroisonicotinaldehído hidrato | AKOS015907860 | A857574 | DTXSI

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Specifications

Sinónimos

SB55281 | AS-54448 | 2-Bromo-3-fluoroisonicotinaldehído hidrato | s10137 | 2-bromo-3-fluoropiridina-4-carbaldehído;hidrato | SCHEMBL17748269 | 2-Bromo-3-fluoro-4-formilpiridina | 2-Bromo-3-fluoroisonicotinaldehído hidrato | AKOS015907860 | A857574 | DTXSI

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504771395
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771395
• Sonrisas canónicas: C1=CN=C(C(=C1C=O)F)Br.O
• IUPAC Name: 2-bromo-3-fluoropyridine-4-carbaldehyde;hydrate
• InChIKey: FYISHJPSPNVIGM-UHFFFAOYSA-N
• INCHI: 1S/C6H3BrFNO.H2O/c7-6-5(8)4(3-10)1-2-9-6;/h1-3H;1H2
• Isómeros SMILES: C1=CN=C(C(=C1C=O)F)Br.O
• PubChem CID: 54759107
• Peso molecular: 204

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridine carboxaldehydes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridine carboxaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridine carboxaldehydes
• Alternative Parents: Polyhalopyridines Aryl-aldehydes 2-halopyridines Aryl fluorides Aryl bromides Vinylogous halides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-pyridine carboxaldehyde - Polyhalopyridine - 2-halopyridine - Aryl-aldehyde - Aryl bromide - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridine carboxaldehydes. These are aromatic compounds containing a pyridine ring which bears a carboxaldehyde group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 222.010 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 220.949 Da
• Monoisotopic Mass: 220.949 Da
• Topological Polar Surface Area: 31.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 133.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1227572-94-2, the molecular formula is C6H3BrFNO, and the molecular weight is 204 g/mol. InChIKey FYISHJPSPNVIGM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.