2-Dihydroxyboranyl-9,9-dioctylfluorene - ≥97% , CAS No.402790-30-1

CAS: 402790-30-1 Cat. No.: D1316045 Summenformel: C₂₉H₄₃BO₂ Molekulargewicht: 434.5 PubChem CID: 11133844

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

B(C1=CC2=C(C=C1)C3=CC=CC=C3C2(CCCCCCCC)CCCCCCCC)(O)O

IUPAC Name

(9,9-dioctylfluoren-2-yl)boronic acid

InChIKey

JDQCVVMDPQPNSN-UHFFFAOYSA-N

INCHI

1S/C29H43BO2/c1-3-5-7-9-11-15-21-29(22-16-12-10-8-6-4-2)27-18-14-13-17-25(27)26-20-19-24(30(31)32)23-28(26)29/h13-14,17-20,23,31-32H,3-12,15-16,21-22H2,1-2H3

Isomere SMILES

B(C1=CC2=C(C=C1)C3=CC=CC=C3C2(CCCCCCCC)CCCCCCCC)(O)O

PubChem CID

11133844

Molekulargewicht

434.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Boronic acids Organic metalloid salts Organometalloid compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic metalloid moeity - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 434.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 434.336 Da
• Monoisotopic Mass: 434.336 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 491.000
• 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

Häufig gestellte Fragen

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 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 402790-30-1, the molecular formula is C29H43BO2, and the molecular weight is 434.5 g/mol. InChIKey JDQCVVMDPQPNSN-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.