s-Triazatriborine, hexahydro-

Base Information

• Chemical Name: s-Triazatriborine, hexahydro-
• CAS No.: 6569-51-3
• Molecular Formula: B3H6 N3
• Molecular Weight: 80.5007
• Hs Code.: 28459000
• UNII: CEM55A0275
• DSSTox Substance ID: DTXSID00976630
• Wikidata: Q422698,Q82961575
• Mol file: 6569-51-3.mol

Synonyms:s-Triazatriborine, hexahydro-;Inorganic benzene;triborine triamine;BORAZINE [MI];B3H6N3;CHEBI:33119;DTXSID00976630;1,3,5,2,4,6-Triazatriborinan-2-yl;BB 0262677;FT-0721222;Q422698;1,3,5,2lambda2,4lambda2,6lambda2-triazatriborinane

Chemical Property of s-Triazatriborine, hexahydro-

Chemical Property:

• Vapor Pressure: 259mmHg at 25°C
• Melting Point: -58°
• Refractive Index: nD20 1.3821
• Boiling Point: 55°C
• PKA: -2.66±0.20(Predicted)
• PSA: 36.09000
• Density: d40 0.824; d457 0.898
• LogP: -2.44530
• Storage Temp.: below 5° C
• Water Solubility.: hydrolyzes, evolving boron hydrides [HAW93]
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 78.0606126
• Heavy Atom Count: 6
• Complexity: 21.5

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Statements: 15-34
• Safety Statements: 7-23-26-36-43

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [B]1N[B]N[B]N1
• Description: Borazole (borazine) is a colourless liquid with an aromatic smell. With water, it decomposes to form boric acid, ammonia, and hydrogen. The reaction product of boron and ammonia at high temperatures is also known as inorganic benzene.

Technology Process of s-Triazatriborine, hexahydro-

There total 110 articles about s-Triazatriborine, hexahydro- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.6%

sodium tetrahydroborate (16940-66-2) + B,B',B''-trichloroborazine (933-18-6,26445-82-9) → borazine (6569-51-3)

Guidance literature:

DOI:10.1021/ja01486a019

Reference yield: 67.0%

sodium tetrahydroborate (16940-66-2) + ammonium sulfate → borazine (6569-51-3)

Guidance literature:

aluminium trichloride; In further solvent(s); (N2), powder of (NH4)2SO4 treated with soln. of NaBH4 in tetraglyme, stirred for 6 h at 140°C catalized by AlCl3;

DOI:10.1002/ejic.201000015

Reference yield: 67.0%

borane-ammonia complex (10043-11-5) → borazine (6569-51-3)

Guidance literature:

In further solvent(s); byproducts: H2; absence of air and moisture; slow addn. of solid H3NBH3 into tetraglymeat 140-160°C (over 3 h), distn. off of H2 and product (2-5 Torr); condensation in trap at liquid-N2 temp., fractional low-temp. distn. (collection at -78°C);

upstream raw materials:

sodium tetrahydroborate

B,B',B''-trichloroborazine

hydrazine hydrochloride

dimethylamine borane

Downstream raw materials:

boron nitride

2-methyl-borazine

B-dimethylborazole

2,4,6-Trimethyl-[1,3,5,2,4,6]triazatriborinane

Refernces

A three-stage mechanistic model for ammonia-borane dehydrogenation by Shvo's catalyst

10.1021/om300562d

The research investigates the dehydrogenation of ammonia?borane (AB) catalyzed by Shvo’s cyclopentadienone-ligated ruthenium complex. The study aims to elucidate the mechanism of catalyst deactivation and the transition from fast to slow catalysis, which is crucial for developing a practical hydrogen storage system using AB. The researchers propose a three-stage model: catalyst initiation, fast catalysis, and slow catalysis. They identify borazine-mediated hydroboration of the ruthenium species as the primary cause of catalyst deactivation, leading to a change in the reaction rate law and the catalyst's apparent resting state. Key chemicals used in the study include ammonia?borane (AB), Shvo’s catalyst (12), borazine, and ethanol. The findings suggest that designing a second-generation catalyst that avoids oxygen-based proton acceptance could mitigate deactivation issues, paving the way for more efficient hydrogen storage solutions.