1-Ethyl-3-hydroxypyridinium bromide - ≥97% , CAS No.80866-84-8

CAS: 80866-84-8 Cat. No.: E472644 Summenformel: C₇H₁₀BrNO Molekulargewicht: 204.06 EG-Nummer: 279-588-8

GRADE & PURITY ≥97%

Synonyms

FT-0768562 | EN300-218387 | SCHEMBL7969935 | 1-ethylpyridin-1-ium-3-ol;bromide | Pyridinium, 1-ethyl-3-hydroxy-, bromide | N-Ethyl-3-oxypyridyl betaine hydrobromide | 3-FLUORO-4-METHYLPHENYLZINCIODIDE | MFCD00011995 | ethyl-3-hydroxypyridinium bromide | N

Storage

Room temperature

Specifications

Synonyme

FT-0768562 | EN300-218387 | SCHEMBL7969935 | 1-ethylpyridin-1-ium-3-ol;bromide | Pyridinium, 1-ethyl-3-hydroxy-, bromide | N-Ethyl-3-oxypyridyl betaine hydrobromide | 3-FLUORO-4-METHYLPHENYLZINCIODIDE | MFCD00011995 | ethyl-3-hydroxypyridinium bromide | N

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504757808

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757808

Kanonisches Lächeln

CC[N+]1=CC=CC(=C1)O.[Br-]

IUPAC Name

1-ethylpyridin-1-ium-3-ol;bromide

InChIKey

ZGQVRFVHWWFKRP-UHFFFAOYSA-N

INCHI

1S/C7H9NO.BrH/c1-2-8-5-3-4-7(9)6-8;/h3-6H,2H2,1H3;1H

Isomere SMILES

CC[N+]1=CC=CC(=C1)O.[Br-]

WGK Deutschland

3

Molekulargewicht

204.06

Reaxy-Rn

3730275

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3730275&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Hydroxypyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Hydroxypyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxypyridines
• Alternative Parents: Pyridinium derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydroxypyridine - Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hydroxypyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a hydroxyl 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

• Empfindlichkeit: Moisture Sensitive
• Schmelzpunkt (°C): 104-108 °C
• Molekulargewicht: 204.060 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 202.995 Da
• Monoisotopic Mass: 202.995 Da
• Topological Polar Surface Area: 24.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 85.000
• 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

Häufig gestellte Fragen

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 room temperature.

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

The CAS Number is 80866-84-8, the molecular formula is C7H10BrNO, and the molecular weight is 204.06 g/mol. InChIKey ZGQVRFVHWWFKRP-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.