Triethylborane solution - 2.0 M in diethyl ether , CAS No.97-94-9

CAS: 97-94-9 Cat. No.: T434625 Molecular Weight: 97.99 Beilstein Registry Number: 1731462 EC Number: 202-620-9

GRADE & PURITY 2.0 M in diethyl ether

Synonyms

Boron triethyl | Triethylborane | triethyl-borane | InChI=1/C6H15B/c1-4-7(5-2)6-3/h4-6H2,1-3H | FT-0655589 | Borane, triethyl- | EN300-35961 | triethyl borane | triethylboran | Triethylborine | 4-04-00-04359 (Beilstein Handbook Reference) | BEt3 | Et3B |

Storage

Room temperature

Shipped In

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Overview

Application

Catalyst for: Allylation of aldehydes Decarboxylative C-C bond cleavage reactions Rhenium hydride / boron Lewis acid cocatalysis of alkene hydrogenations Regioselective hydroxyalkylation of unsaturated oxime ethers Reactant for radical reductions of alkyl bromides with N -heterocyclic carbene boranes Reactant for synthesis of tetramethylammonium trialkylphenylborate salts with oxidation potential

Specifications

Synonyms

Boron triethyl | Triethylborane | triethyl-borane | InChI=1/C6H15B/c1-4-7(5-2)6-3/h4-6H2, 1-3H | FT-0655589 | Borane, triethyl- | EN300-35961 | triethyl borane | triethylboran | Triethylborine | 4-04-00-04359 (Beilstein Handbook Reference) | BEt3 | Et3B |

Specifications & Purity

2.0 M in diethyl ether

Storage

Room temperature

Shipped In

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

Names and Identifiers

• Canonical Smiles: B(CC)(CC)CC
• IUPAC Name: triethylborane
• InChIKey: LALRXNPLTWZJIJ-UHFFFAOYSA-N
• INCHI: 1S/C6H15B/c1-4-7(5-2)6-3/h4-6H2,1-3H3
• Isomeric SMILES: B(CC)(CC)CC
• WGK Germany: 3
• RTECS: ED2100000
• UN Number: 2845
• Molecular Weight: 97.99
• Beilstein: 1731462
• Reaxy-Rn: 1731462

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organoboron compounds
        • Level5 Alkylboranes
          • Level6 Trialkylboranes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organoboron compounds
• Intermediate Tree Nodes: Alkylboranes
• Direct Parent: Trialkylboranes
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylborane - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylboranes. These are organoboron compounds where the boron atom is substituted by only three alkyl groups.
• 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

• Flash Point(°F): -32.8 °F
• Flash Point(°C): -36 °C
• Boil Point(°C): 95°C
• Melt Point(°C): -92°C
• Molecular Weight: 98.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 98.1267 Da
• Monoisotopic Mass: 98.1267 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 25.700
• 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

References

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