2-Ethoxy-3-fluorophenylboronic acid - ≥97% , CAS No.1010097-71-8

CAS: 1010097-71-8 Cat. No.: E178728 Formula: C8H10BFO3 Peso molecolare: 184

GRADE & PURITY ≥97%

Synonyms

A897265 | (2-Ethoxy-3-fluorophenyl)boronicacid | Z1198329855 | 2-ETHOXY-3-FLUOROPHENYLBORONIC ACID | DTXSID60681874 | AKOS006324937 | SCHEMBL3984741 | EN300-2613273 | 1010097-71-8 | 3-Fluoro-2-ethoxy-benzeneboronic acid | SY345824 | (2-Ethoxy-3-fluorophen

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

A897265 | (2-Ethoxy-3-fluorophenyl)boronicacid | Z1198329855 | 2-ETHOXY-3-FLUOROPHENYLBORONIC ACID | DTXSID60681874 | AKOS006324937 | SCHEMBL3984741 | EN300-2613273 | 1010097-71-8 | 3-Fluoro-2-ethoxy-benzeneboronic acid | SY345824 | (2-Ethoxy-3-fluorophen

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Sorrisi canonici: B(C1=C(C(=CC=C1)F)OCC)(O)O
• IUPAC Name: (2-ethoxy-3-fluorophenyl)boronic acid
• InChIKey: DFKMCPBXSPQEEW-UHFFFAOYSA-N
• INCHI: 1S/C8H10BFO3/c1-2-13-8-6(9(11)12)4-3-5-7(8)10/h3-5,11-12H,2H2,1H3
• Isomeri SMILES: B(C1=C(C(=CC=C1)F)OCC)(O)O
• Peso molecolare: 184
• Reaxy-Rn: 38257399
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38257399&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Fluorobenzenes Alkyl aryl ethers Aryl fluorides Boronic acids Organic metalloid salts Organometalloid compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Ether - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic metalloid moeity - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene 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

Proprietà chimiche e fisiche

• Peso molecolare: 183.970 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 184.071 Da
• Monoisotopic Mass: 184.071 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 156.000
• 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

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 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 1010097-71-8, the molecular formula is C8H10BFO3, and the molecular weight is 184 g/mol. InChIKey DFKMCPBXSPQEEW-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.