5-Bromopyridine-2-carboxaldehyde - ≥97% , CAS No.31181-90-5

CAS: 31181-90-5 Cat. No.: B119147 Molecular Weight: 186.01 Beilstein Registry Number: 21(5)7,333 EC Number: 626-872-8

GRADE & PURITY ≥97%

Synonyms

BCP14421 | GEO-02483 | AKOS005145570 | B3489 | PB30785 | 5-bromanylpyridine-2-carbaldehyde | NCGC00025079-02 | 5-Bromo-2-pyridinecarboxaldehyde, 95% | 5-Bromopyridine-2-carboxaldehyde | AC-5935 | 5-bromopyridinecarbaldehyde | FT-0630311 | A5653 | BEA97377

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

application：

5-Bromopyridine-2-carboxaldehyde is used as organic chemical synthesis intermediate.

Specifications

Synonyms

BCP14421 | GEO-02483 | AKOS005145570 | B3489 | PB30785 | 5-bromanylpyridine-2-carbaldehyde | NCGC00025079-02 | 5-Bromo-2-pyridinecarboxaldehyde, 95% | 5-Bromopyridine-2-carboxaldehyde | AC-5935 | 5-bromopyridinecarbaldehyde | FT-0630311 | A5653 | BEA97377

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488196383
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196383
• Canonical Smiles: C1=CC(=NC=C1Br)C=O
• IUPAC Name: 5-bromopyridine-2-carbaldehyde
• InChIKey: ZQVLPMNLLKGGIU-UHFFFAOYSA-N
• INCHI: 1S/C6H4BrNO/c7-5-1-2-6(4-9)8-3-5/h1-4H
• Isomeric SMILES: C1=CC(=NC=C1Br)C=O
• WGK Germany: 3
• Molecular Weight: 186.01
• Beilstein: 21(5)7,333
• Reaxy-Rn: 1446581
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1446581&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridine carboxaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridine carboxaldehydes
• Alternative Parents: Aryl-aldehydes Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-pyridine carboxaldehyde - 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in methanol
• Sensitivity: Air Sensitive;Heat sensitive
• Boil Point(°C): 70 °C
• Melt Point(°C): 91-96°C
• Molecular Weight: 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

References

1. Fang Yuan, Yujing Kong, Jia You, Cuiling Zhang, Yuezhong Xian.  (2021)  Rational Synthesis of Imine-Linked Fluorescent Covalent Organic Frameworks with Different pKa for pH Sensing In Vitro and In Vivo.  ACS Applied Materials & Interfaces,      [PMID:34689554] [10.1021/acsami.1c14690]