3-Chlorobenzenediazonium tetrafluoroborate

Base Information

• Chemical Name: 3-Chlorobenzenediazonium tetrafluoroborate
• CAS No.: 456-39-3
• Deprecated CAS: 14874-10-3,2101457-52-5,2190528-87-9
• Molecular Formula: C6H4BClF4N2
• Molecular Weight: 226.369
• European Community (EC) Number: 207-262-7
• DSSTox Substance ID: DTXSID50883385
• Mol file: 456-39-3.mol

Synonyms:3-Chlorobenzenediazonium tetrafluoroborate;456-39-3;3-chlorobenzenediazonium;tetrafluoroborate;Benzenediazonium, 3-chloro-, tetrafluoroborate(1-);EINECS 207-262-7;Benzenediazonium, 3-chloro-, tetrafluoroborate(1-) (1:1);C6H4ClN2.BF4;SCHEMBL1504016;C6-H4-Cl-N2.B-F4;DTXSID50883385;AKOS017518219;3-chlorobenzenediazoniumtetrafluorborate

Chemical Property of 3-Chlorobenzenediazonium tetrafluoroborate

Chemical Property:

• PSA: 28.15000
• LogP: 4.12458
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 226.0092186
• Heavy Atom Count: 14
• Complexity: 156

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Chlorobenzenediazonium tetrafluoroborate

There total 11 articles about 3-Chlorobenzenediazonium 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: 99.0%

3-chloro-aniline (108-42-9) → 3-chlorobenzenediazonium tetrafluoroborate (456-39-3)

Guidance literature:

3-chloro-aniline; With boron trifluoride diethyl etherate; In acetonitrile; Cooling with ice;

With isopentyl nitrite; In acetonitrile; at 0 ℃; for 0.5h;

DOI:10.1021/acs.oprd.0c00162

Reference yield: 99.0%

tetrafluoroboric acid + 3-chloro-aniline (108-42-9) → 3-chlorobenzenediazonium tetrafluoroborate (456-39-3)

Guidance literature:

tetrafluoroboric acid; 3-chloro-aniline; In ethanol; water; for 0.25h;

With sodium nitrite; In ethanol; water; at 0 ℃; for 1h;

DOI:10.1021/acs.joc.1c01799

Reference yield: 59.0%

tetrafluoroboric acid + 3-chloro-aniline (108-42-9) + sodium nitrite (7632-00-0) → 3-chlorobenzenediazonium tetrafluoroborate (456-39-3)

Guidance literature:

In water; at 0 ℃; for 0.5h;

DOI:10.1039/c6gc02379g

upstream raw materials:

3-chlorobenzenediazonium chloride

3-chloro-aniline

sodium tetrafluoroborate

sodium nitrite

Downstream raw materials:

3-chlorophenyl acetate

1-(m-chlorophenyl)cyclopentene

3-(m-Chlorphenyl)-cyclopenten

m-chlorobiphenyl

Refernces

• 1、 Schotten, Christiane,Leprevost, Samy K.,Yong, Low Ming,Hughes, Colan E.,Harris, Kenneth D. M.,Browne, Duncan L.. "Comparison of the Thermal Stabilities of Diazonium Salts and Their Corresponding Triazenes". supporting information. p. 2336 - 2341. Retrieved 2020/06/05.
• 2、 Pan, Shulei,Zhou, Yangli,Wang, Qiusheng,Wang, Yanlin,Tian, Chenyu,Wang, Tianqi,Huang, Luyi,Nan, Jinshan,Li, Linli,Yang, Shengyong. "Discovery and structure-activity relationship studies of 1-aryl-1H-naphtho[2,3-d][1,2,3]triazole-4,9-dione derivatives as potent dual inhibitors of indoleamine 2,3-dioxygenase 1 (IDO1) and trytophan 2,3-dioxygenase (TDO)". . . Retrieved 2020/09/01.