2-Pyridineethanol - ≥98%(GC) , CAS No.103-74-2

CAS: 103-74-2 Cat. No.: P160791 Peso molecular: 123.16 Beilstein Registry Number: 111205 Número EC: 203-140-2 PubChem CID: 7675

GRADE & PURITY ≥98%(GC)

Synonyms

4G94J9B8JR | 2-(.ALPHA.-PYRIDYL)ETHANOL | AKOS004911141 | UNII-4G94J9B8JR | Betahistine Dihydrochloride Imp. B (EP); Betahistine Imp. B (EP); 2-(Pyridin-2-yl)ethanol; 2-(2-Hydroxyethyl)pyridine; Betahistine Dihydrochloride Impurity B; Betahistine Impurity

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

It derivatives react with the aryl and alkenyl chlorides (palladium-catalyzed reactions) that result in the substitution of the chloro moieties with a 2-pyridylmethyl group.
It was used to prepare mononuclear nickel(II) acetat.

Specifications

Sinónimos

4G94J9B8JR | 2-(.ALPHA.-PYRIDYL)ETHANOL | AKOS004911141 | UNII-4G94J9B8JR | Betahistine Dihydrochloride Imp. B (EP); Betahistine Imp. B (EP); 2-(Pyridin-2-yl)ethanol; 2-(2-Hydroxyethyl)pyridine; Betahistine Dihydrochloride Impurity B; Betahistine Impurity

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504751427
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751427
• Sonrisas canónicas: C1=CC=NC(=C1)CCO
• IUPAC Name: 2-pyridin-2-ylethanol
• InChIKey: BXGYBSJAZFGIPX-UHFFFAOYSA-N
• INCHI: 1S/C7H9NO/c9-6-4-7-3-1-2-5-8-7/h1-3,5,9H,4,6H2
• Isómeros SMILES: C1=CC=NC(=C1)CCO
• WGK Alemania: 2
• RTECS: UT2970450
• PubChem CID: 7675
• Peso molecular: 123.16
• Beilstein: 111205
• Reaxy-Rn: 111205

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 Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - 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 Chloroform (Slightly), Methanol (Slightly).
• Sensibilidad: Moisture sensitive
• Índice de refracción: 1.5360 to 1.5390
• Punto de inflamación (°F): 92 °C
• Punto de inflamación (°C): 92°C
• Punto de ebullición (°C): 114-116 °C/9 mmHg
• Punto de fusión (°C): -8°C
• Peso molecular: 123.150 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 123.068 Da
• Monoisotopic Mass: 123.068 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 75.300
• 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

Referencias

1. Lei Yuan, Hongshuai Gao, Haiyan Jiang, Shaojuan Zeng, Tao Li, Baozeng Ren, Xiangping Zhang.  (2020)  Experimental and thermodynamic analysis of NH3 absorption in dual-functionalized pyridinium-based ionic liquids.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2020.114601]