2,4,6-Triisopropylbenzeneboronic Acid (contains varying amounts of Anhydride) - ≥98% , CAS No.154549-38-9

CAS: 154549-38-9 Cat. No.: T167529 Molecular Weight: 248.17 EC Number: 672-618-4 PubChem CID: 15153544

GRADE & PURITY ≥98%

Synonyms

T2654 | FGFYEKLWZBTLEW-UHFFFAOYSA-N | SY049261 | [2,4,6-Tri(propan-2-yl)phenyl]boronic acid | 2,4,6-triisopropylphenyiboronic acid | AKOS015838458 | AMY953 | GS-5590 | (2,4,6-Triisopropylphenyl)boronicacid | 2,4,6-triisopropylphenylboronic acid | [2,4,6-t

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

T2654 | FGFYEKLWZBTLEW-UHFFFAOYSA-N | SY049261 | [2, 4, 6-Tri(propan-2-yl)phenyl]boronic acid | 2, 4, 6-triisopropylphenyiboronic acid | AKOS015838458 | AMY953 | GS-5590 | (2, 4, 6-Triisopropylphenyl)boronicacid | 2, 4, 6-triisopropylphenylboronic acid | [2, 4, 6-t

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488198824
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198824
• Canonical Smiles: B(C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)(O)O
• IUPAC Name: [2,4,6-tri(propan-2-yl)phenyl]boronic acid
• InChIKey: FGFYEKLWZBTLEW-UHFFFAOYSA-N
• INCHI: 1S/C15H25BO2/c1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6/h7-11,17-18H,1-6H3
• Isomeric SMILES: B(C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)(O)O
• WGK Germany: 3
• PubChem CID: 15153544
• Molecular Weight: 248.17
• Reaxy-Rn: 8693262

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Cumenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Cumenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cumenes
• Alternative Parents: Phenylpropanes Boronic acids Organic metalloid salts Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Cumene - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic metalloid moeity - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
• 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

Chemical and Physical Properties

• Solubility: Soluble in Acetone
• Sensitivity: Air sensitive
• Melt Point(°C): 167-172 °C
• Molecular Weight: 248.170 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 248.195 Da
• Monoisotopic Mass: 248.195 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 233.000
• 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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