(4-Ethoxy-2-methoxyphenyl)boronic acid - ≥97% , CAS No.1207443-48-8

CAS: 1207443-48-8 Cat. No.: E190072 Formule: C₉H₁₃BO₄ Poids moléculaire: 196.01

GRADE & PURITY ≥97%

Synonyms

N11787 | (4-Ethoxy-2-methoxyphenyl)boronicacid | MFCD04037217 | 4-ETHOXY-2-METHOXYPHENYLBORONIC ACID | DS-7235 | DTXSID60669990 | SCHEMBL3241115 | SY109093 | 1207443-48-8 | A892080 | AKOS006276743 | (4-Ethoxy-2-methoxyphenyl)boronic acid | AB17001

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

N11787 | (4-Ethoxy-2-methoxyphenyl)boronicacid | MFCD04037217 | 4-ETHOXY-2-METHOXYPHENYLBORONIC ACID | DS-7235 | DTXSID60669990 | SCHEMBL3241115 | SY109093 | 1207443-48-8 | A892080 | AKOS006276743 | (4-Ethoxy-2-methoxyphenyl)boronic acid | AB17001

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Sourires canoniques

B(C1=C(C=C(C=C1)OCC)OC)(O)O

IUPAC Name

(4-ethoxy-2-methoxyphenyl)boronic acid

InChIKey

WMVVZNXFUFZMPF-UHFFFAOYSA-N

INCHI

1S/C9H13BO4/c1-3-14-7-4-5-8(10(11)12)9(6-7)13-2/h4-6,11-12H,3H2,1-2H3

Isomères SMILES

B(C1=C(C=C(C=C1)OCC)OC)(O)O

Poids moléculaire

196.01

Reaxy-Rn

21641993

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21641993&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Boronic acids Organic metalloid salts Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Boronic acid - Boronic acid derivative - Organic metalloid salt - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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: 196.010 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• 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: 165.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

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 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 1207443-48-8, the molecular formula is C9H13BO4, and the molecular weight is 196.01 g/mol. InChIKey WMVVZNXFUFZMPF-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.