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715468

Sigma-Aldrich

Barium tert-butoxide

85%

Synonym(s):

Barium di-t-butoxide

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About This Item

Empirical Formula (Hill Notation):
C8H18BaO2
CAS Number:
Molecular Weight:
283.55
MDL number:
UNSPSC Code:
12352001
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

85%

form

powder

mp

>200 °C

storage temp.

2-8°C

SMILES string

CC(C)(C)O[Ba]OC(C)(C)C

InChI

1S/2C4H9O.Ba/c2*1-4(2,3)5;/h2*1-3H3;/q2*-1;+2

InChI key

SLPLCLDJTNLWPW-UHFFFAOYSA-N

General description

Barium tert-butoxide is a Brønsted base catalyst that can be used as a precursor of various barium catalysts like barium aryloxide. It can also be used in the preparation of barium diphenylmethanide, applicable in the organometallic chemistry.

Application

Barium tert-butoxide can be used:
  • As a catalyst along with various phenolic ligands in the aldol reactions of amides with aldehydes and ketones.
  • To prepare yttrium and copper metal complexes by reacting with Y(thd)3 and Cu(thd)2, where “thd” is 2,2,6,6-tetramethylheptane-3,5-dione.
  • As an initiator along with an alkyl lithium in the butadiene copolymerization reaction.
  • In the iridium catalyzed allylic alkylation of non-stabilized enolates.

Signal Word

Danger

Hazard Statements

Hazard Classifications

Flam. Sol. 2 - Skin Corr. 1B - STOT SE 3

Target Organs

Respiratory system

Supplementary Hazards

Storage Class Code

4.2 - Pyrophoric and self-heating hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

FSL

Group 3: Spontaneously combustible substances and water- reactive materials
Materials containing Organometallic compounds
Hazardous rank I
1st spontaneously combustible materials and water reactive materials

JAN Code

715468-VAR:
715468-1G:4548173320601
715468-BULK:
715468-10G:4548173320595


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Customers Also Viewed

Reactivity of mixed-metal BaCu and BaY β-diketonatoalkoxides with lewis bases: Molecular structures of [Ba2Cu (μ3, η2-OCHMeCH2NMe2) 2 (μ, η2-thd) 2 (η2-thd) 2 (PriOH2],[Cu3 (μ3-OBut) 2 (μ-OBut)(η2-thd) 3] and [Ba (η2-thd) 2 (TMEDA) 2]
Labrize F, et al.
Polyhedron, 15(4), 577-589 (1996)

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