4-(tert-Butoxymethyl)phenylboronic acid(contains varying amounts of Anhydride) - ≥98% , CAS No.1024017-53-5

CAS: 1024017-53-5 Cat. No.: T290763 Peso molecular: 208.06 Número EC: 691-028-8 PubChem CID: 3708480

GRADE & PURITY ≥98%

Synonyms

AMY1112 | 4-(tert-Butoxymethyl)benzeneboronic acid | AB15800 | SWBBCXVELDRAPH-UHFFFAOYSA-N | 4-tert-butoxymethylbenzeneboronic acid | AKOS004116471 | (4-(tert-Butoxymethyl)phenyl)boronic acid | 4-tert-butyloxymethylphenylboronic acid | Boronic acid, B-[4-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

AMY1112 | 4-(tert-Butoxymethyl)benzeneboronic acid | AB15800 | SWBBCXVELDRAPH-UHFFFAOYSA-N | 4-tert-butoxymethylbenzeneboronic acid | AKOS004116471 | (4-(tert-Butoxymethyl)phenyl)boronic acid | 4-tert-butyloxymethylphenylboronic acid | Boronic acid, B-[4-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: B(C1=CC=C(C=C1)COC(C)(C)C)(O)O
• IUPAC Name: [4-[(2-methylpropan-2-yl)oxymethyl]phenyl]boronic acid
• InChIKey: SWBBCXVELDRAPH-UHFFFAOYSA-N
• INCHI: 1S/C11H17BO3/c1-11(2,3)15-8-9-4-6-10(7-5-9)12(13)14/h4-7,13-14H,8H2,1-3H3
• Isómeros SMILES: B(C1=CC=C(C=C1)COC(C)(C)C)(O)O
• PubChem CID: 3708480
• Peso molecular: 208.06

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 208.060 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 208.127 Da
• Monoisotopic Mass: 208.127 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 181.000
• 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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