Tris(1H-benzo[d][1,2,3]triazol-1-yl)methane

Base Information

• Chemical Name: Tris(1H-benzo[d][1,2,3]triazol-1-yl)methane
• CAS No.: 88088-95-3
• Molecular Formula: C19H13 N9
• Molecular Weight: 367.373
• Hs Code.: 2933990090
• European Community (EC) Number: 622-030-9
• DSSTox Substance ID: DTXSID20395687
• Nikkaji Number: J331.358A
• Wikidata: Q82195897
• Mol file: 88088-95-3.mol

Synonyms:88088-95-3;Tris(1H-benzo[d][1,2,3]triazol-1-yl)methane;1-[bis(benzotriazol-1-yl)methyl]benzotriazole;Tris(1H-benzotriazol-1-yl)methane;TRIS-(1-BENZOTRIAZOLYL)METHANE 97;Tris-(1-benzotriazolyl)methane;tri(1H-benzo[d][1,2,3]triazol-1-yl)methane;TRIS(1-BENZOTRIAZOLEYL)METHANE;tris(benzotriazol-1-yl)methane;SCHEMBL6794284;YSZC3641;DTXSID20395687;C19H13N9;MFCD00514776;AKOS022172531;Tris-(1-benzotriazolyl)methane, 97%;DS-3004;TRIS-(1-BENZOTRIAZOLYL)METHANE97;CS-0155902;T3141;1,1',1''-methanetriyltris(1H-benzotriazole);A849044;1-[bis(1H-1,2,3-benzotriazol-1-yl)methyl]-1H-1,2,3-benzotriazole

Chemical Property of Tris(1H-benzo[d][1,2,3]triazol-1-yl)methane

Chemical Property:

• Melting Point: 191-195 °C(lit.)
• Boiling Point: 678.4oC at 760 mmHg
• Flash Point: 364.1oC
• PSA: 92.13000
• Density: 1.61g/cm3
• LogP: 2.47340
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 367.12939145
• Heavy Atom Count: 28
• Complexity: 485

Purity/Quality:

97% ^*data from raw suppliers

Tris(1H-benzo[d][1,2,3]triazol-1-yl)methane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=NN2C(N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5
• Uses: New Benzotriazole ReagentsReactant for:Photodecomposition reactionsTele nucleophilic aromatic substitutionsPara-formylation of nitroarenes via nucleophilic substitution

Technology Process of Tris(1H-benzo[d][1,2,3]triazol-1-yl)methane

There total 3 articles about Tris(1H-benzo[d][1,2,3]triazol-1-yl)methane 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: 50.0%

1,2,3-Benzotriazole (95-14-7,27556-51-0) + chloroform (67-66-3,8013-54-5) → tris(benzotriazol-1-yl)methane (88088-95-3)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; for 48h; Heating;

DOI:10.1055/s-1990-26975

Reference yield: 9.5%

1,2,3-Benzotriazole (95-14-7,27556-51-0) + chloroform (67-66-3,8013-54-5) → tris(benzotriazol-1-yl)methane (88088-95-3) + 2-benzotriazolyldichloromethane + 1,2',2''-trisbenzotriazolylmethane + 1,1',2''-trisbenzotriazolylmethane

Guidance literature:

With tetra(n-butyl)ammonium hydrogensulfate; potassium carbonate; Heating;

Reference yield:

[1-benzotriazol-1-yl-methylidene]biphenyl-2-ylamine → tris(benzotriazol-1-yl)methane (88088-95-3)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / tetrahydrofuran / 0.17 h / 0 °C

2: 46.8 percent / aq. NaOH; Bu₄NBr / 48 h / Heating

With sodium hydroxide; lithium aluminium tetrahydride; tetrabutylammomium bromide; In tetrahydrofuran;

DOI:10.1021/jo061851d

upstream raw materials:

1,2,3-Benzotriazole

chloroform

Downstream raw materials:

C₃₀H₂₉N₉OSi

Tris-benzotriazol-1-yl-dithioacetic acid benzyl ester

2,2,2-Tris-benzotriazol-1-yl-N-benzyl-thioacetamide

2,2,2-Tris-benzotriazol-1-yl-1-phenyl-ethanone

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