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

CAS: 103-74-2 Cat. No.: P160791 分子式: C₇H₉NO 分子量: 123.16 Beilstein Registry Number: 111205 EC番号: 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

概要

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

同義語

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

仕様と純度

≥98%(GC)

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

• パブケム・シド: 504751427
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504751427
• カノニカル・スマイル: 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
• 異性体SMILES: C1=CC=NC(=C1)CCO
• WGKドイツ: 2
• RTECS: UT2970450
• PubChem CID: 7675
• 分子量: 123.16
• Beilstein: 111205
• Reaxy-Rn: 111205

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in Chloroform (Slightly), Methanol (Slightly).
• 感度: Moisture sensitive
• 屈折率: 1.5360 to 1.5390
• 引火点（°F）: 92 °C
• 引火点（°C）: 92°C
• 沸点（°C）: 114-116 °C/9 mmHg
• 融点（°C）: -8°C
• 分子量: 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

参考文献

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]

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 103-74-2, the molecular formula is C7H9NO, and the molecular weight is 123.16 g/mol. InChIKey BXGYBSJAZFGIPX-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.