N-Selectride® - 1.0M in THF , CAS No.67276-04-4

CAS: 67276-04-4 Cat. No.: N466143 Fórmula: NaB[CH(CH3)C2H5]3H Peso molecular: 206.15 Número CE: 266-630-5 PubChem CID: 23709779

GRADE & PURITY 1.0M in THF

Synonyms

EINECS 266-630-5 | MFCD00011709 | Gona-1,3,5,7,9,15-hexaen-12-one, (14beta)- | SODIUM TRI-SEC-BUTYLBOROHYDRIDE | CID 23709779 | Sodium hydrotri-sec-butylborate(1-)

Storage

Room temperature

Visão geral

Description

Reducing agentReactant for:Conjugate hydride reduction-initiated tandem cyclization reactionsSereoselective nucleophilic addition reactions

Specifications

Sinónimos

EINECS 266-630-5 | MFCD00011709 | Gona-1,3,5,7,9,15-hexaen-12-one, (14beta)- | SODIUM TRI-SEC-BUTYLBOROHYDRIDE | CID 23709779 | Sodium hydrotri-sec-butylborate(1-)

Especificações e pureza

1.0M in THF

Condições de armazenamento de armazenamento

Room temperature

Nomes e identificadores

• Sorrisos canónicos: [B-](C(C)CC)(C(C)CC)C(C)CC.[Na+]
• InChIKey: VSQOLIPZGAUEAK-UHFFFAOYSA-N
• INCHI: 1S/C12H27B.Na/c1-7-10(4)13(11(5)8-2)12(6)9-3;/h10-12H,7-9H2,1-6H3;/q-1;+1
• SMILES isoméricas: [B-](C(C)CC)(C(C)CC)C(C)CC.[Na+]
• WGK Alemanha: 3
• PubChem CID: 23709779
• Peso molecular: 206.15

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Classe: Organometalloid compounds
• Subclass: Organoboron compounds
• Intermediate Tree Nodes: Alkylboranes
• Direct Parent: Trialkylboranes
• Alternative Parents: Organic metalloid salts Organic sodium salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylborane - Organic alkali metal salt - Organic metalloid salt - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organic cation - Aliphatic acyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Ponto de inflamação (°F): 5 °F
• Ponto de inflamação (°C): -15 °C
• Peso molecular: 205.150 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 205.21 Da
• Monoisotopic Mass: 205.21 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 104.000
• 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: 2

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