Tri-sec-butylborane - 1.0 M in THF , CAS No.1113-78-6

CAS: 1113-78-6 Cat. No.: T140660 Fórmula: [C₂H₅CH(CH₃)]₃B Peso molecular: 182.15 Número EC: 214-209-1 PubChem CID: 102559

CALIDAD & PUREZA 1.0 M in THF

Synonyms

tri-sec-butylboron | YUPAWYWJNZDARM-UHFFFAOYSA-N | DTXSID30883646 | tris(butan-2-yl)borane | tri-sec butylborane | AKOS015918439 | tri-s-butylboron | tri-s-butyl-borane | EINECS 214-209-1 | tri(butan-2-yl)borane

Storage

Room temperature

Shipped In

Normal

Descripción general

Catalyst for: · Allylic alkylations for synthesis of unsaturated aldehydes and alcohols. · Cis-addition of carbon-hydrogen bonds of pyrroles and thiophenes to alkynes. · Borane-induced radical reduction of alkenyl and alkynyliodanes. · Initiating polymerization for synthesis of polymethylenes and ethylene-propylene. · Asymmetric synthesis of vinylglycidols. · Asymmetric addition of alcohols to vinyl epoxides.

Especificaciones

Sinónimos

tri-sec-butylboron | YUPAWYWJNZDARM-UHFFFAOYSA-N | DTXSID30883646 | tris(butan-2-yl)borane | tri-sec butylborane | AKOS015918439 | tri-s-butylboron | tri-s-butyl-borane | EINECS 214-209-1 | tri(butan-2-yl)borane

Especificaciones y pureza

1.0 M in THF

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

Pubchem Sid

504756526

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756526

Sonrisas canónicas

B(C(C)CC)(C(C)CC)C(C)CC

IUPAC Name

tri(butan-2-yl)borane

InChIKey

YUPAWYWJNZDARM-UHFFFAOYSA-N

INCHI

1S/C12H27B/c1-7-10(4)13(11(5)8-2)12(6)9-3/h10-12H,7-9H2,1-6H3

Isómeros SMILES

B(C(C)CC)(C(C)CC)C(C)CC

WGK Alemania

1

PubChem CID

102559

Número ONU

2056

Grupo de embalaje

II

Peso molecular

182.15

Taxonomic Classification

Taxonomy Tree

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

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

Propiedades químicas y físicas

• Peso molecular: 182.160 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 182.221 Da
• Monoisotopic Mass: 182.221 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 98.500
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3

Preguntas frecuentes

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 1113-78-6, the molecular formula is C12H27B, and the molecular weight is 182.15 g/mol. InChIKey YUPAWYWJNZDARM-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.