Tritetradecyl Borate - ≥98% , CAS No.23162-15-4

CAS: 23162-15-4 Cat. No.: T162871 Molecular Weight: 650.97 PubChem CID: 64670

GRADE & PURITY ≥98%

Synonyms

1-Tetradecanol, 1,1',1''-triester with boric acid (H3BO3) | Tritetradecyl Borate | Myristyl alcohol borate | 1-Tetradecanol, triester with boric acid (H3BO3) | D88897 | SCHEMBL352047 | MFCD06797053 | Tri(tetradecyl) borate | YAA16215 | EINECS 245-467-3 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

1-Tetradecanol, 1, 1', 1''-triester with boric acid (H3BO3) | Tritetradecyl Borate | Myristyl alcohol borate | 1-Tetradecanol, triester with boric acid (H3BO3) | D88897 | SCHEMBL352047 | MFCD06797053 | Tri(tetradecyl) borate | YAA16215 | EINECS 245-467-3 |

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: B(OCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC
• IUPAC Name: tritetradecyl borate
• InChIKey: WTBVYJWHTHPPKB-UHFFFAOYSA-N
• INCHI: 1S/C42H87BO3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-44-43(45-41-38-35-32-29-26-23-20-17-14-11-8-5-2)46-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-42H2,1-3H3
• Isomeric SMILES: B(OCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC
• PubChem CID: 64670
• Molecular Weight: 650.97
• Reaxy-Rn: 1829381

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organic oxoanionic compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organic oxoanionic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic oxoanionic compounds
• Alternative Parents: Organic metalloid salts Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic borate - Organic metalloid salt - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic oxoanionic compounds. These are organic compounds containing an oxoanion.
• 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

• Molecular Weight: 651.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 42
• Exact Mass: 650.675 Da
• Monoisotopic Mass: 650.675 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 446.000
• 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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