5-Ethynylpyrimidine - ≥95% , CAS No.153286-94-3

CAS: 153286-94-3 Cat. No.: E167509 Formule: C₆H₄N₂ Poids moléculaire: 104.11 Numéro CE: 819-720-9

QUALITÉ & PURETÉ ≥95%

Synonyms

5-ethynylpyrimidine | 5-Ethynyl-pyrimidine | A849395 | SY107524 | Pyrimidine, 5-ethynyl- (9CI) | AKOS008901243 | FT-0717534 | GFVQKBROKWSUNG-UHFFFAOYSA-N | 5-Ethynylpyrimidine, 95% | Z1080385536 | PB12263 | Pyrimidine, 5-ethynyl- | 5-Ethynylpyrimidine, Al

Storage

Store at 2-8°C

Shipped In

Wet ice

Spécifications

Synonymes

5-ethynylpyrimidine | 5-Ethynyl-pyrimidine | A849395 | SY107524 | Pyrimidine, 5-ethynyl- (9CI) | AKOS008901243 | FT-0717534 | GFVQKBROKWSUNG-UHFFFAOYSA-N | 5-Ethynylpyrimidine, 95% | Z1080385536 | PB12263 | Pyrimidine, 5-ethynyl- | 5-Ethynylpyrimidine, Al

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Pubchem Sid

504760501

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760501

Sourires canoniques

C#CC1=CN=CN=C1

IUPAC Name

5-ethynylpyrimidine

InChIKey

GFVQKBROKWSUNG-UHFFFAOYSA-N

INCHI

1S/C6H4N2/c1-2-6-3-7-5-8-4-6/h1,3-5H

Isomères SMILES

C#CC1=CN=CN=C1

Poids moléculaire

104.11

Reaxy-Rn

7125890

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7125890&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: Pyrimidines and pyrimidine derivatives
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Acetylides Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine - Heteroaromatic compound - Acetylide - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidines and pyrimidine derivatives. These are compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four 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

Propriétés chimiques et physiques

• Sensibilité: heat sensitive
• Point de fusion (°C): 80℃
• Poids moléculaire: 104.110 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 104.037 Da
• Monoisotopic Mass: 104.037 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 105.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% 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 153286-94-3, the molecular formula is C6H4N2, and the molecular weight is 104.11 g/mol. InChIKey GFVQKBROKWSUNG-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.