Tris(2-chlorophenyl) borate

Base Information

• Chemical Name: Tris(2-chlorophenyl) borate
• CAS No.: 5337-60-0
• Molecular Formula: C18H12 B Cl3 O3
• Molecular Weight: 393.461
• European Community (EC) Number: 226-263-3
• NSC Number: 808
• UNII: 2KGW54P4PP
• DSSTox Substance ID: DTXSID40201534
• Nikkaji Number: J42.801I
• Wikidata: Q83074742
• Mol file: 5337-60-0.mol

Synonyms:Tris(2-chlorophenyl) borate;5337-60-0;Tri-o-chlorophenyl borate;Boric acid, tri(o-chlorophenyl) ester;Boric acid, tris(o-chlorophenyl) ester;BORIC ACID, TRI-o-CHLOROPHENYL ESTER;NSC 808;EINECS 226-263-3;BRN 2546654;2KGW54P4PP;NSC-808;4-06-00-00810 (Beilstein Handbook Reference);starbld0019201;Tri(o-chlorophenyl) borate;UNII-2KGW54P4PP;C18H12BCl3O3;SCHEMBL738763;NSC808;WLN: GR BOBOR BG&OR BG;DTXSID40201534;C18-H12-B-Cl3-O3;Boric acid tris(2-chlorophenyl) ester;Boric acid, tris(2-chlorophenyl) ester;LS-45034

Chemical Property of Tris(2-chlorophenyl) borate

Chemical Property:

• Vapor Pressure: 5.17E-07mmHg at 25°C
• Melting Point: 48°C
• Boiling Point: 424.3°Cat760mmHg
• Flash Point: 210.4°C
• Density: 1.349g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 391.994507
• Heavy Atom Count: 25
• Complexity: 347

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: B(OC1=CC=CC=C1Cl)(OC2=CC=CC=C2Cl)OC3=CC=CC=C3Cl

Technology Process of Tris(2-chlorophenyl) borate

There total 4 articles about Tris(2-chlorophenyl) 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: 80.0%

2-monochlorophenol (95-57-8) + boric acid (11113-50-1,14635-83-7) → tris(2-chlorophenyloxy)borane (5337-60-0)

Guidance literature:

With calcium hydride; In cyclohexane; byproducts: H2; react. under N2, slow addn. of the alcohol via syringe to B(OH)3 and CaH2, cooling in a water bath, slow heating to 80-90°C for 24 h after abating the H2 gas evolution; distn. of the volatile products under reduced pressure (distn. pot temp. <= 120°C), oily product;

Reference yield:

2-monochlorophenol (95-57-8) → tris(2-chlorophenyloxy)borane (5337-60-0)

Guidance literature:

With boric acid; toluene; Entfernen des entstehenden Wassers;

DOI:10.1021/ie50566a023

Reference yield:

2-Cl-C6H4OBCl2 (875254-08-3) → tris(2-chlorophenyloxy)borane (5337-60-0) + boron trichloride (10294-34-5)

Guidance literature:

130°C;

upstream raw materials:

2-monochlorophenol

boric acid

2-Cl-C₆H₄OBCl₂

Downstream raw materials:

(R)-3-(2-chlorophenoxy)-3-phenylpropan-1-ol

3-phenyl-3-(2-chlorophenoxy)-N-(4-methylphenylsulfonyl)propanamine

2-monochlorophenol

boric acid

Refernces