5-(4-Formylphenyl)pyrimidine - ≥97% , CAS No.198084-12-7

CAS: 198084-12-7 Cat. No.: F168317 Formula: C₁₁H₈N₂O Peso molecolare: 184.19 Numero EC: 626-830-9

GRADE & PURITY ≥97%

Synonyms

MFCD02684108 | DTXSID80397501 | 5-(4-Formylphenyl)pyrimidine | BXNXTOLXLPQMHS-UHFFFAOYSA-N | AR2039 | AM20050578 | PS-3595 | EN300-265784 | Benzaldehyde,4-(5-pyrimidinyl)- | 4-(5-Pyrimidinyl)benzaldehyde | 4-(5-pyrimidinyl)-benzaldehyde | FT-0643843 | W-2

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

MFCD02684108 | DTXSID80397501 | 5-(4-Formylphenyl)pyrimidine | BXNXTOLXLPQMHS-UHFFFAOYSA-N | AR2039 | AM20050578 | PS-3595 | EN300-265784 | Benzaldehyde,4-(5-pyrimidinyl)- | 4-(5-Pyrimidinyl)benzaldehyde | 4-(5-pyrimidinyl)-benzaldehyde | FT-0643843 | W-2

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504762777

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762777

Sorrisi canonici

C1=CC(=CC=C1C=O)C2=CN=CN=C2

IUPAC Name

4-pyrimidin-5-ylbenzaldehyde

InChIKey

BXNXTOLXLPQMHS-UHFFFAOYSA-N

INCHI

1S/C11H8N2O/c14-7-9-1-3-10(4-2-9)11-5-12-8-13-6-11/h1-8H

Isomeri SMILES

C1=CC(=CC=C1C=O)C2=CN=CN=C2

WGK Germania

3

Peso molecolare

184.19

Reaxy-Rn

9900304

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9900304&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrimidines
• Alternative Parents: Benzoyl derivatives Benzaldehydes Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 5-phenylpyrimidine - Benzaldehyde - Benzoyl - Aryl-aldehyde - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Aldehyde - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 145-149°C
• Peso molecolare: 184.190 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 184.064 Da
• Monoisotopic Mass: 184.064 Da
• Topological Polar Surface Area: 42.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 182.000
• 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: 1

Domande frequenti

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 198084-12-7, the molecular formula is C11H8N2O, and the molecular weight is 184.19 g/mol. InChIKey BXNXTOLXLPQMHS-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.