2-ethynyl-3-fluoro-pyridine - ≥97% , CAS No.1401685-43-5

CAS: 1401685-43-5 Cat. No.: E635607 Formule: C₇H₄NF Poids moléculaire: 121.11 Numéro CE: 831-092-8 PubChem CID: 74891616

GRADE & PURITY ≥97%

Synonyms

1401685-43-5 | SY072602 | 2-ethynyl-3-fluoropyridine | F21381 | SCHEMBL5022136 | F2167-2840 | AKOS037651218 | MFCD22191371 | EN300-1216565

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

1401685-43-5 | SY072602 | 2-ethynyl-3-fluoropyridine | F21381 | SCHEMBL5022136 | F2167-2840 | AKOS037651218 | MFCD22191371 | EN300-1216565

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: C#CC1=C(C=CC=N1)F
• IUPAC Name: 2-ethynyl-3-fluoropyridine
• InChIKey: WKCSIVACSVNZLD-UHFFFAOYSA-N
• INCHI: 1S/C7H4FN/c1-2-7-6(8)4-3-5-9-7/h1,3-5H
• Isomères SMILES: C#CC1=C(C=CC=N1)F
• CAS alternatif: 1401685-43-5
• PubChem CID: 74891616
• Poids moléculaire: 121.11

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Aryl fluorides Heteroaromatic compounds Azacyclic compounds Acetylides Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Acetylide - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 121.110 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 121.033 Da
• Monoisotopic Mass: 121.033 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 135.000
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 1401685-43-5, the molecular formula is C7H4NF, and the molecular weight is 121.11 g/mol. InChIKey WKCSIVACSVNZLD-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.