2-Ethoxymethylphenylboronic acid - ≥97% , CAS No.871329-56-5

CAS: 871329-56-5 Cat. No.: E187330 Formule: C₉H₁₃BO₃ Poids moléculaire: 180

GRADE & PURITY ≥97%

Synonyms

AM20041276 | MFCD07363844 | DTXSID00629654 | (2-(Ethoxymethyl)phenyl)boronicacid | 2-ETHOXYMETHYLPHENYLBORONIC ACID | I12233 | 2-(ETHOXYMETHYL)PHENYLBORONIC ACID | A862805 | [2-(ethoxymethyl)phenyl]boronic acid | AB30887 | Boronic acid,B-[2-(ethoxymethyl)

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

AM20041276 | MFCD07363844 | DTXSID00629654 | (2-(Ethoxymethyl)phenyl)boronicacid | 2-ETHOXYMETHYLPHENYLBORONIC ACID | I12233 | 2-(ETHOXYMETHYL)PHENYLBORONIC ACID | A862805 | [2-(ethoxymethyl)phenyl]boronic acid | AB30887 | Boronic acid,B-[2-(ethoxymethyl)

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: B(C1=CC=CC=C1COCC)(O)O
• IUPAC Name: [2-(ethoxymethyl)phenyl]boronic acid
• InChIKey: SVBVDEHEAYWGFP-UHFFFAOYSA-N
• INCHI: 1S/C9H13BO3/c1-2-13-7-8-5-3-4-6-9(8)10(11)12/h3-6,11-12H,2,7H2,1H3
• Isomères SMILES: B(C1=CC=CC=C1COCC)(O)O
• Poids moléculaire: 180
• Reaxy-Rn: 31030478
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31030478&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Boronic acids Organic metalloid salts Dialkyl ethers Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Boronic acid - Boronic acid derivative - Organic metalloid salt - Ether - Dialkyl 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 benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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

• Point de fusion (°C): 60-63°
• Poids moléculaire: 180.010 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.096 Da
• Monoisotopic Mass: 180.096 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 141.000
• 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

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