Tributyl borate

Base Information

• Chemical Name: Tributyl borate
• CAS No.: 688-74-4
• Molecular Formula: C12H27BO3
• Molecular Weight: 230.156
• Hs Code.: 2920.90
• European Community (EC) Number: 211-706-5
• NSC Number: 779
• UN Number: 1993
• UNII: X3UQ8D0UED
• DSSTox Substance ID: DTXSID9026184
• Nikkaji Number: J24.006K
• Wikidata: Q27293526
• Mol file: 688-74-4.mol

Synonyms:TRIBUTYL BORATE;688-74-4;Tri-n-butyl borate;Tributoxyborane;n-Butyl borate;Tributoxyboron;Butyl borate;Boron tributoxide;Borester 2;Tri-n-butoxyborane;Tris(butoxy)borane;Borane, tributoxy-;Boric acid, tributyl ester;Tributyl orthoborate;Butyl borate, tri-;Boric acid (H3BO3), tributyl ester;Tributoxyborine;Butyl borate, (BuO)3B;NSC 779;tri-n-butylborate;Tributylester kyseliny borite;CCRIS 5943;C12H27BO3;HSDB 4271;EINECS 211-706-5;UNII-X3UQ8D0UED;X3UQ8D0UED;Boric acid, (H3BO3) tributyl ester;Tributylester kyseliny borite [Czech];Butyl borate, (BuO)3 B;BRN 1703865;AI3-11060;NSC779;NSC-779;MFCD00009434;Boric Acid Tributyl Ester;Tributyl borate-10B, 98 atom % 10B;4-01-00-01544 (Beilstein Handbook Reference);Boric acid tributylester;tributylborate;Boric acid tri-n-butyl ester;n-butoxide;tributoxy-borane;Boric acid tributyl;boron tri-n-butoxide;B(OnBu)3;B(On-Bu)3;boric acid tri-butyl ester;B(OBu)3;BORON TRIS(BUTOXIDE);SCHEMBL50476;WLN: 4OBO4&O4;(n-C4H9O)3B;BUTYL BORATE, B(OBU)3;BORON TRIBUTOXIDE [HSDB];DTXSID9026184;LGQXXHMEBUOXRP-UHFFFAOYSA-;Tributyl borate, >=99.0% (T);AKOS015950626;CS-W014186;LS-1583;Tributyl borate-11b,99 atom % 11b;SY003466;B0518;FT-0623170;EN300-181649;(Tri-n-butyl borate;A836270;(Tri-n-butyl borate);J-650122;Q27293526

Chemical Property of Tributyl borate

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 0.0987mmHg at 25°C
• Melting Point: -70 °C
• Refractive Index: 1.4100
• Boiling Point: 230.6 °C at 760 mmHg
• Flash Point: 93.3 °C
• PSA: 27.69000
• Density: 0.853 g/cm³
• LogP: 3.42140
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive
• Solubility.: soluble in Methanol,Benzene,Ethanol
• Water Solubility.: decomposes
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 230.2053249
• Heavy Atom Count: 16
• Complexity: 110
• Transport DOT Label: Combustible Liquid

Purity/Quality:

99% ^*data from raw suppliers

Tributyl Borate >99.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38-36/38
• Safety Statements: 26-36/37/39-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Metals -> Metalloid Compounds (Boron)
• Canonical SMILES: B(OCCCC)(OCCCC)OCCCC
• Uses: Welding fluxes, intermediate in preparation of borohydrides, flame retardant for textiles (with boric acid). Tri-n-butyl Borate is used as a catalyst in the formation of dihydropyrimidinones under solvent-free microwave-assisted conditions.

Technology Process of Tributyl borate

There total 50 articles about Tributyl borate 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: 100.0%

butan-1-ol (71-36-3) → boric acid tributyl ester (688-74-4)

Guidance literature:

With boric acid; In toluene; Reflux;

Reference yield: 87.0%

10B-boric acid + butan-1-ol (71-36-3) → boric acid tributyl ester (688-74-4)

Guidance literature:

In toluene;

Reference yield: 82.0%

boric acid (11113-50-1,14635-83-7) + butan-1-ol (71-36-3) → boric acid tributyl ester (688-74-4)

Guidance literature:

With calcium hydride; In neat (no solvent); byproducts: H2; react. under N2, slow addn. of the alcohol via syringe to B(OH)3 (ratio 3:1) and CaH2, cooling in a water bath, slow heating to 80-90°C for 12 h after abating the H2 gas evolution; distn. of the volatile products under reduced pressure (distn. pot temp. <= 120°C);

upstream raw materials:

n-C₄H₉OB(N(C₂H₅)2)2

butan-1-ol

triacetoxyborane

diphenylborinic acid butyl ester

Downstream raw materials:

2-Chlorobenzeneboronic acid

(3-bromothiophen-2-yl)boronic acid

Trimethyl borate

2-(10,11-dihydro-dibenzo[b,f]borepin-5-yloxy)-ethylamine

Refernces

• 1、 Finch,Gardner. "". . p. 927. Retrieved 1963.
• 2、 Oki, Aderemi,Adams, Luqman,Luo, Zhipping. "Solvothermal synthesis of carbon nanotube-B2O3 nanocomposite using tributyl borate as boron oxide source". . p. 275 - 278. Retrieved 2008.
• 3、 Liu, Shujuan,Zheng, Zhen,Li, Minrui,Wang, Xinling. "Study of the radical chemistry promoted by tributylborane". . p. 1893 - 1907. Retrieved 2013/02/23.
• 4、 Knizek, Joerg,Noeth, Heinrich,Schmidt-Amelunxen, Martin. "Triorganyl- and diorganyloxozirconium hydridoborates - Synthesis and structures". . p. 5548 - 5557. Retrieved 2012/02/04.