5-Bromo-4-methylpicolinaldehyde - ≥97% , CAS No.886364-94-9

CAS: 886364-94-9 Cat. No.: B590546 Formula: C₇H₆NOBr Peso molecolare: 200.03 Numero EC: 171-590-6

GRADE & PURITY ≥97%

Synonyms

EN300-156541 | MFCD07375095 | A861691 | 5-Bromo-4-methylpicolinaldehyde | SCHEMBL2035997 | Z1269213722 | PKKXSXWOKVKYOW-UHFFFAOYSA-N | AKOS016007256 | FT-0740263 | SY111452 | 5-BROMO-4-METHYL-PYRIDINE-2-CARBALDEHYDE | 5-Bromo-4-methylpyridine-2-carbaldehy

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

EN300-156541 | MFCD07375095 | A861691 | 5-Bromo-4-methylpicolinaldehyde | SCHEMBL2035997 | Z1269213722 | PKKXSXWOKVKYOW-UHFFFAOYSA-N | AKOS016007256 | FT-0740263 | SY111452 | 5-BROMO-4-METHYL-PYRIDINE-2-CARBALDEHYDE | 5-Bromo-4-methylpyridine-2-carbaldehy

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: CC1=CC(=NC=C1Br)C=O
• IUPAC Name: 5-bromo-4-methylpyridine-2-carbaldehyde
• InChIKey: PKKXSXWOKVKYOW-UHFFFAOYSA-N
• INCHI: 1S/C7H6BrNO/c1-5-2-6(4-10)9-3-7(5)8/h2-4H,1H3
• Isomeri SMILES: CC1=CC(=NC=C1Br)C=O
• CAS alternativo: 886364-94-9
• Peso molecolare: 200.03
• Reaxy-Rn: 20661837
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20661837&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridine carboxaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridine carboxaldehydes
• Alternative Parents: Methylpyridines Aryl-aldehydes Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-pyridine carboxaldehyde - Methylpyridine - Aryl-aldehyde - Aryl bromide - Aryl halide - Heteroaromatic compound - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 200.030 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 198.963 Da
• Monoisotopic Mass: 198.963 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 129.000
• 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: 1