4-Methylbenzenediazonium tetrafluoroborate

Base Information

• Chemical Name: 4-Methylbenzenediazonium tetrafluoroborate
• CAS No.: 459-44-9
• Deprecated CAS: 2101457-32-1,2190529-23-6
• Molecular Formula: C₇H₇N₂•BF₄
• Molecular Weight: 205.951
• European Community (EC) Number: 207-289-4
• UNII: SQD5WP9UH5
• DSSTox Substance ID: DTXSID3060031
• Mol file: 459-44-9.mol

Synonyms:4-Methylbenzenediazonium tetrafluoroborate;459-44-9;p-Toluenediazonium fluoroborate;Benzenediazonium, 4-methyl-, tetrafluoroborate(1-);CCRIS 3642;p-Methylphenyldiazonium fluoborate;p-Methylphenyldiazonium fluoroborate;EINECS 207-289-4;4-Methyl benzene diazonium fluoroborate;4-methylbenzenediazonium;tetrafluoroborate;4-Methylbenzenediazonium tetrafluoroborate (1-);p-Toluenediazonium tetrafluoroborate;Benzenediazonium, 4-methyl-, tetrafluoroborate(1-) (1:1);p-Toluenediazonium, tetrafluoroborate (1-);SQD5WP9UH5;C7H7N2.BF4;SCHEMBL4857370;DTXSID3060031;C7-H7-N2.B-F4;AKOS019067677;4-methyl-benzenediazonium tetrafluoroborate;LS-154056

Chemical Property of 4-Methylbenzenediazonium tetrafluoroborate

Chemical Property:

• Melting Point: 109-111 °C
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 28.15000
• Density: g/cm³
• LogP: 3.77958
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 206.0638410
• Heavy Atom Count: 14
• Complexity: 144

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [B-](F)(F)(F)F.CC1=CC=C(C=C1)[N+]#N

Technology Process of 4-Methylbenzenediazonium tetrafluoroborate

There total 15 articles about 4-Methylbenzenediazonium tetrafluoroborate 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: 97.0%

p-toluidine (106-49-0,12221-03-3) → 4-methylbenzenediazonium tetrafluoroborate (459-44-9)

Guidance literature:

With tetrafluoroboric acid; sodium nitrite; In water; at 0 ℃; for 0.5h;

DOI:10.1039/b200748g

Reference yield: 95.0%

tetrafluoroboric acid + p-toluidine (106-49-0,12221-03-3) → 4-methylbenzenediazonium tetrafluoroborate (459-44-9)

Guidance literature:

With sodium nitrite; In water; at -7 - 1 ℃; for 2h;

DOI:10.1002/anie.201911075

Reference yield: 87.0%

tetrafluoroboric acid + tert.-butylnitrite (540-80-7) + p-toluidine (106-49-0,12221-03-3) → 4-methylbenzenediazonium tetrafluoroborate (459-44-9)

Guidance literature:

In ethanol; at 0 - 20 ℃; for 1h; Inert atmosphere;

DOI:10.1002/anie.201802466

upstream raw materials:

p-toluidine

4-chloro-aniline

sodium nitrite

sodium tetrafluoroborate

Downstream raw materials:

C₁₅H₂₅N₃

acetic-p-methylbenzoic anhydride

benzophenone

bis(p-methylphenyl)-methanone

Refernces

• 1、 Louvel, Dan,Chelagha, Aida,Rouillon, Jean,Payard, Pierre-Adrien,Khrouz, Lhoussain,Monnereau, Cyrille,Tlili, Anis. "Metal-Free Visible-Light Synthesis of Arylsulfonyl Fluorides: Scope and Mechanism". supporting information. p. 8704 - 8708. Retrieved 2021/05/17.
• 2、 Anderl, Felix,Balkenhohl, Moritz,Carreira, Erick M.,Fink, Moritz,Pfaff, Patrick. "Azoacetylenes for the Synthesis of Arylazotriazole Photoswitches". supporting information. p. 14495 - 14501. Retrieved 2021/09/18.