2-Pyridinecarboxaldehyde - ≥98% , CAS No.1121-60-4

CAS: 1121-60-4 Cat. No.: P105912 分子式: C₆H₅NO 分子量: 107.11 Beilstein Registry Number: 105341 EC番号: 214-333-6

GRADE & PURITY ≥98%

Synonyms

AM20050672 | picoline aldehyde | A20908 | pyridine aldehyde | Q-101278 | 2-Pyridinecarbaldehyde | D77679 | 2-pyridyl carboxaldehyde | PS-9301 | Pyridinecarboxaldehyde | pyridine-carboxaldehyde | STL146657 | pyridine-2 carbaldehyde | DTXSID1061522 | AC-509

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

概要

2-Pyridinecarboxaldehyde has been used:

• To synthesize chitosan based bifunctionalized adsorbent.

• In the aldol addition reaction with pyruvate in the presence of 2-keto-3-deoxy-6-phosphogluconate aldolase (KDPG) catalyst to form (S)-4-hydroxy-2-keto-4-(2′-pyridyl)butyrate.

• In the condensation reaction with (S)-(−)-α-methylbenzylamine and (R)-(+)-α-methylbenzylamine to synthesize two chiral (S)-(−)- and (R)-(+)Schiff base compounds.

It can also be combined with thiosemicarbazide to form 2-pyridinecarboxaldehyde thiosemicarbazone ligand (L) which can further complex with Ni(II) and Cu(II) salts (MX) to form [M(L)2X2] complexes.

Specifications

同義語

AM20050672 | picoline aldehyde | A20908 | pyridine aldehyde | Q-101278 | 2-Pyridinecarbaldehyde | D77679 | 2-pyridyl carboxaldehyde | PS-9301 | Pyridinecarboxaldehyde | pyridine-carboxaldehyde | STL146657 | pyridine-2 carbaldehyde | DTXSID1061522 | AC-509

仕様と純度

≥98%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

504752546

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504752546

カノニカル・スマイル

C1=CC=NC(=C1)C=O

IUPAC Name

pyridine-2-carbaldehyde

InChIKey

CSDSSGBPEUDDEE-UHFFFAOYSA-N

INCHI

1S/C6H5NO/c8-5-6-3-1-2-4-7-6/h1-5H

異性体SMILES

C1=CC=NC(=C1)C=O

WGKドイツ

2

UN番号

1993

分子量

107.11

Beilstein

105341

Reaxy-Rn

105341

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105341&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyridines and derivatives
• Subclass: Pyridine carboxaldehydes
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridine carboxaldehydes
• Alternative Parents: Aryl-aldehydes Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-pyridine carboxaldehyde - Aryl-aldehyde - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aldehyde - Aromatic heteromonocyclic compound
• 説明: 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: a small molecule

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

関連ターゲット（人間）

SLC6A1 Tclin GABA transporter 1 (308 Activities)

Discover Target: SLC6A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

関連ターゲット（非人間）

Meloidogyne incognita (862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

B16-F10 (4610 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water
• 感度: Light & Air Sensitive;Heat sensitive
• 屈折率: 1.5343-1.5373
• 引火点（°F）: 170.6 °F
• 引火点（°C）: 77 °C
• 沸点（°C）: 181°C
• 融点（°C）: -21--22°C
• 分子量: 107.110 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 107.037 Da
• Monoisotopic Mass: 107.037 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 82.600
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 1121-60-4, the molecular formula is C6H5NO, and the molecular weight is 107.11 g/mol. InChIKey CSDSSGBPEUDDEE-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.