Pyrimidine-5-carboxaldehyde - ≥97% , CAS No.10070-92-5

CAS: 10070-92-5 Cat. No.: P123455 Fórmula: C₅H₄N₂O Peso molecular: 108.1 Número CE: 631-168-9

GRAU & PUREZA ≥97%

Synonyms

W-200631 | FREJAOSUHFGDBW-UHFFFAOYSA-N | AC-6955 | AKOS005144225 | 5-pyrimidinaldehyde | F8881-5907 | Pyrimidine-5-carboxaldehyde | 5-pyrimidinecarbaldehyde | EN300-65143 | pyrimidine 5-carboxaldehyde | BP-10257 | FT-0603722 | pyrimidine-5-aldehyde | SY00

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Visão geral

application：

Pyrimidine-5-carboxaldehyde is used in the preparation of (S)- and (R)-pyrimidyl alkanol by reacting with diisopropylzinc and (n-butyl)ethyl(n-hexyl)(n-propyl)methane.

Especificações

Sinónimos

W-200631 | FREJAOSUHFGDBW-UHFFFAOYSA-N | AC-6955 | AKOS005144225 | 5-pyrimidinaldehyde | F8881-5907 | Pyrimidine-5-carboxaldehyde | 5-pyrimidinecarbaldehyde | EN300-65143 | pyrimidine 5-carboxaldehyde | BP-10257 | FT-0603722 | pyrimidine-5-aldehyde | SY00

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488193192

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488193192

Sorrisos canónicos

C1=C(C=NC=N1)C=O

IUPAC Name

pyrimidine-5-carbaldehyde

InChIKey

FREJAOSUHFGDBW-UHFFFAOYSA-N

INCHI

1S/C5H4N2O/c8-3-5-1-6-4-7-2-5/h1-4H

SMILES isoméricas

C1=C(C=NC=N1)C=O

Peso molecular

108.1

Reaxy-Rn

506964

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506964&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Aryl-aldehydes
• Alternative Parents: Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-aldehyde - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic ring.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Air sensitive；Light sensitive
• Ponto de ebulição (°C): 80-82°C/4mmHg
• Ponto de fusão (°C): 39-43°C
• Peso molecular: 108.100 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 108.032 Da
• Monoisotopic Mass: 108.032 Da
• Topological Polar Surface Area: 42.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 78.500
• 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: 1