(2-Ethoxy-5-fluoropyridin-4-yl)boronic acid(contains varying amounts of Anhydride) - ≥98% , CAS No.1259370-15-4

CAS: 1259370-15-4 Cat. No.: E732992 Formula: C₇H₉BFNO₃ Molecular Weight: 184.96 PubChem CID: 49760396

GRADE & PURITY ≥98%

Synonyms

2-Ethoxy-5-fluoropyridine-4-boronic acid(contains varying amounts of Anhydride)

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

2-Ethoxy-5-fluoropyridine-4-boronic acid(contains varying amounts of Anhydride)

Specifications & Purity

≥98%

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

Canonical Smiles

B(C1=CC(=NC=C1F)OCC)(O)O

IUPAC Name

(2-ethoxy-5-fluoropyridin-4-yl)boronic acid

InChIKey

YMAWRCDGUJRSMO-UHFFFAOYSA-N

INCHI

1S/C7H9BFNO3/c1-2-13-7-3-5(8(11)12)6(9)4-10-7/h3-4,11-12H,2H2,1H3

Isomeric SMILES

B(C1=CC(=NC=C1F)OCC)(O)O

PubChem CID

49760396

Molecular Weight

184.96

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Pyridines and derivatives Aryl fluorides Heteroaromatic compounds Boronic acids Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organometalloid compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Boronic acid derivative - Boronic acid - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic metalloid moeity - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• 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

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 184.960 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 185.066 Da
• Monoisotopic Mass: 185.066 Da
• Topological Polar Surface Area: 62.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 161.000
• 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

XLogP3

Frequently Asked Questions

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 room temperature.

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

The CAS Number is 1259370-15-4, the molecular formula is C7H9BFNO3, and the molecular weight is 184.96 g/mol. InChIKey YMAWRCDGUJRSMO-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.