3-bromo-2-formylpyridine - ≥97% , CAS No.405174-97-2

CAS: 405174-97-2 Cat. No.: B482551 Summenformel: C₆H₄BrNO Molekulargewicht: 186.01 EG-Nummer: 689-835-5

QUALITÄT & REINHEIT ≥97%

Synonyms

3-bromo-pyridine-2-carbaldehyde | 3-bromopyridine-2-carbaldehyde | 3-Bromopyridine-2-carboxaldehyde | BCP28766 | DTXSID10585974 | FT-0649380 | AB42598 | EN300-108933 | 3-bromopicolinaldehyde;3-Bromo-2-formylpyridine | AMY15171 | SCHEMBL736006 | 3-Bromo-2-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Spezifikationen

Synonyme

3-bromo-pyridine-2-carbaldehyde | 3-bromopyridine-2-carbaldehyde | 3-Bromopyridine-2-carboxaldehyde | BCP28766 | DTXSID10585974 | FT-0649380 | AB42598 | EN300-108933 | 3-bromopicolinaldehyde;3-Bromo-2-formylpyridine | AMY15171 | SCHEMBL736006 | 3-Bromo-2-

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504768454

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768454

Kanonisches Lächeln

C1=CC(=C(N=C1)C=O)Br

IUPAC Name

3-bromopyridine-2-carbaldehyde

InChIKey

DCOPXKMVVJNPSW-UHFFFAOYSA-N

INCHI

1S/C6H4BrNO/c7-5-2-1-3-8-6(5)4-9/h1-4H

Isomere SMILES

C1=CC(=C(N=C1)C=O)Br

Molekulargewicht

186.01

Reaxy-Rn

9757082

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9757082&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 186.010 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 184.948 Da
• Monoisotopic Mass: 184.948 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 107.000
• 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