2-(Bromomethyl)pyridine hydrobromide - ≥98% , CAS No.31106-82-8

CAS: 31106-82-8 Cat. No.: B169474 Fórmula: C₆H₆BrN · HBr Peso molecular: 252.93 Número EC: 629-514-9

GRADE & PURITY ≥98%

Synonyms

2-picolyl bromide hydrobromide | 2-(bromomethyl)pyridine;hydrobromide | Pyridine, 2-(bromomethyl)-, hydrobromide (1:1) | 2-bromomethylpyridine hydrogenbromide | 2-(bromomethyl) pyridine hydrobromide | 2-(bromomethyl)pyridine HBr salt | 2(bromomethyl)pyrid

Storage

Room temperature

Shipped In

Normal

Descripción general

product description：

2-(Bromomethyl)pyridine hydrobromide is a pyridine derivative. It participates in the synthesis of 7-nitrobenz-2-oxa-1,3-diazole (NBD) based colorimetric and fluorescence chemosensor.

application：

2-(Bromomethyl)pyridine hydrobromide may be used in the preparation of :

2-[1-(pyridin-2-ylmethyl)-1H-1,2,3-triazol-4-yl]pyridine

2-morpholin-4-yl-7-(pyridin-2-ylmethoxy)-4H-1,3-benzoxazin-4-one

8-methyl-2-morpholin-4-yl-7-(pyridin-2-ylmethoxy)-4H-1,3-benzoxazin-4-one

trans-4-(4-(bis(pyridin-2-ylmethyl)amino)styryl)benzonitrile

2-[N-(2-aminoethanethiol) methyl]-pyridine

2-[N-(ethylenediamino)-methyl]-pyridine

3-(carboxymethyl)-1-[(pyridin-2-yl)methyl]-3H-imidazol-1-ium trifluoroacetate

3-[(S)-1-carboxy-2-methylpropyl]-1-[(pyridin-2-yl)methyl]-3H-imidazol-1-ium trifluoroacetate

Specifications

Sinónimos

2-picolyl bromide hydrobromide | 2-(bromomethyl)pyridine;hydrobromide | Pyridine, 2-(bromomethyl)-, hydrobromide (1:1) | 2-bromomethylpyridine hydrogenbromide | 2-(bromomethyl) pyridine hydrobromide | 2-(bromomethyl)pyridine HBr salt | 2(bromomethyl)pyrid

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

508807960

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508807960

Sonrisas canónicas

C1=CC=NC(=C1)CBr.Br

IUPAC Name

2-(bromomethyl)pyridine;hydrobromide

InChIKey

JQDNCGRNPYKRAO-UHFFFAOYSA-N

INCHI

1S/C6H6BrN.BrH/c7-5-6-3-1-2-4-8-6;/h1-4H,5H2;1H

Isómeros SMILES

C1=CC=NC(=C1)CBr.Br

WGK Alemania

3

CAS alternativo

55401-97-3

Peso molecular

252.93

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives Hydrobromides Alkyl bromides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrobromide - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 148.0-152.0℃
• Peso molecular: 252.930 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 252.892 Da
• Monoisotopic Mass: 250.895 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 65.500
• 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

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