Triisopropyl borate - ≥98% , CAS No.5419-55-6

CAS: 5419-55-6 Cat. No.: T106813 Peso molecular: 188.07 Beilstein Registry Number: 1701469 Número EC: 226-529-9 PubChem CID: 21531

GRADE & PURITY ≥98%

Synonyms

NCGC00256934-01 | triisopropyl borat | Boric acid, triisopropyl ester | EN300-29557 | NSC 9779 | OL10118 | tri(isopropyl)borate | tri(iso-propyl)borate | Triisopropoxy borane | tri-isopropoxy borane | B0521 | BORICACIDTRIISOPROPYLESTER | Boron triisopropo

Storage

Room temperature,Argon charged

Shipped In

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Descripción general

Application：

Triisopropyl borate is used as reagent in Pd-catalyzed coupling reaction with aryl halides such as Suzuki reaction. It is used as a reagent for the preparation of the boronic acids and esters; as a Lewis acid catalyst and involved in the ortho-borylation of 1-substituted naphthalenes. Furthermore, it plays an important role as a catalyst for the production of resins, waxes, paints and varnishes.

Specifications

Sinónimos

NCGC00256934-01 | triisopropyl borat | Boric acid, triisopropyl ester | EN300-29557 | NSC 9779 | OL10118 | tri(isopropyl)borate | tri(iso-propyl)borate | Triisopropoxy borane | tri-isopropoxy borane | B0521 | BORICACIDTRIISOPROPYLESTER | Boron triisopropo

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

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Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504753041
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753041
• Sonrisas canónicas: B(OC(C)C)(OC(C)C)OC(C)C
• IUPAC Name: tripropan-2-yl borate
• InChIKey: NHDIQVFFNDKAQU-UHFFFAOYSA-N
• INCHI: 1S/C9H21BO3/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-9H,1-6H3
• Isómeros SMILES: B(OC(C)C)(OC(C)C)OC(C)C
• WGK Alemania: 2
• RTECS: ED5950000
• PubChem CID: 21531
• Número ONU: 2616
• Grupo de embalaje: II
• Peso molecular: 188.07
• Beilstein: 1701469
• Reaxy-Rn: 1701469

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organic oxoanionic compounds

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

Objetivos asociados (humanos)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Miscible with ether, ethanol, isopropanol and benzene.
• Sensibilidad: Hygroscopic.
• Índice de refracción: 1.375-1.378
• Punto de inflamación (°F): 62.6 °F
• Punto de inflamación (°C): 17℃
• Punto de ebullición (°C): 139-141 °C
• Punto de fusión (°C): -59°C
• Peso molecular: 188.070 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 188.158 Da
• Monoisotopic Mass: 188.158 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 102.000
• 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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