4-(Ethoxymethoxy)phenylboronic acid - ≥98% , CAS No.957062-54-3

CAS: 957062-54-3 Cat. No.: E188755 Fórmula: C₉H₁₃BO₄ Peso molecular: 196 PubChem CID: 44118618

GRADE & PURITY ≥98%

Synonyms

(4-(Ethoxymethoxy)phenyl)boronic acid | DTXSID90656919 | BS-29874 | (4-(Ethoxymethoxy)phenyl)boronicacid | F88171 | [4-(ethoxymethoxy)phenyl]boronic acid | 4-(Ethoxymethoxy)phenylboronic acid | AKOS006222263 | 4-(Ethoxymethoxy)benzeneboronic acid | MFCD09

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(4-(Ethoxymethoxy)phenyl)boronic acid | DTXSID90656919 | BS-29874 | (4-(Ethoxymethoxy)phenyl)boronicacid | F88171 | [4-(ethoxymethoxy)phenyl]boronic acid | 4-(Ethoxymethoxy)phenylboronic acid | AKOS006222263 | 4-(Ethoxymethoxy)benzeneboronic acid | MFCD09

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: B(C1=CC=C(C=C1)OCOCC)(O)O
• IUPAC Name: [4-(ethoxymethoxy)phenyl]boronic acid
• InChIKey: JKJOKHKGCAHUJY-UHFFFAOYSA-N
• INCHI: 1S/C9H13BO4/c1-2-13-7-14-9-5-3-8(4-6-9)10(11)12/h3-6,11-12H,2,7H2,1H3
• SMILES isoméricas: B(C1=CC=C(C=C1)OCOCC)(O)O
• PubChem CID: 44118618
• Peso molecular: 196

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 Boronic acids Organic metalloid salts Acetals Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 196.010 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 196.091 Da
• Monoisotopic Mass: 196.091 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 146.000
• 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

Perguntas frequentes

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.

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 957062-54-3, the molecular formula is C9H13BO4, and the molecular weight is 196 g/mol. InChIKey JKJOKHKGCAHUJY-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.