4-Iodo-3-(trifluoromethyl)benzonitrile

Base Information

• Chemical Name: 4-Iodo-3-(trifluoromethyl)benzonitrile
• CAS No.: 161320-00-9
• Molecular Formula: C₈H₃F₃IN
• Molecular Weight: 297.018
• Hs Code.: 2926909090
• Mol file: 161320-00-9.mol

Synonyms:4-Iodo-3-(trifluoromethyl)benzonitrile

Chemical Property of 4-Iodo-3-(trifluoromethyl)benzonitrile

Chemical Property:

• Vapor Pressure: 0.00667mmHg at 25°C
• Melting Point: 92-99 °C
• Refractive Index: 1.561
• Boiling Point: 271℃
• Flash Point: 118℃
• PSA: 23.79000
• Density: 1.95
• LogP: 3.18168

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Iodo-3-(trifluoromethyl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of 4-Iodo-3-(trifluoromethyl)benzonitrile

There total 6 articles about 4-Iodo-3-(trifluoromethyl)benzonitrile 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: 63.0%

4-cyano-2-trifluoromethylaniline (327-74-2) → 4-iodo-3-trifluoromethylbenzonitrile (161320-00-9)

Guidance literature:

4-cyano-2-trifluoromethylaniline; With sulfuric acid; sodium nitrite; In water; at 0 ℃; Inert atmosphere; Schlenk technique;

With potassium iodide; In water; at 0 ℃; for 2h; Inert atmosphere; Schlenk technique;

DOI:10.1002/asia.201600538

Reference yield:

iodopentafluorobenzene bis(trifluoroacetate) (14353-88-9) + 4-iodobenzonitrile (3058-39-7) → 4-iodo-2-(trifluoromethyl)benzonitrile (101066-87-9) + 4-iodo-3-trifluoromethylbenzonitrile (161320-00-9)

Guidance literature:

With tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; In acetonitrile; at 35 ℃; for 12h; Overall yield = 51 %; Irradiation; Inert atmosphere;

DOI:10.1021/acscatal.7b03990

Reference yield:

4-iodobenzonitrile (3058-39-7) + trifluoroacetic acid (76-05-1) → 4-iodo-2-(trifluoromethyl)benzonitrile (101066-87-9) + 4-iodo-3-trifluoromethylbenzonitrile (161320-00-9)

Guidance literature:

With dipotassium peroxodisulfate; sodium carbonate; silver carbonate; In dichloromethane; at 120 ℃; for 10h; Schlenk technique; Sealed tube;

DOI:10.1021/ol503189j

upstream raw materials:

4-cyano-2-trifluoromethylaniline

4-bromo-2-trifluoromethyl-aniline

2-(trifluoromethyl)benzenamine

4-iodobenzonitrile

Downstream raw materials:

2,2′-bis-trifluoromethyl-biphenyl-4,4′-dicarboxylic acid

Refernces

• 1、 Chen, Jyh-Chien,Liu, Yen-Chun,Ju, Jyh-Jong,Chiang, Chi-Jui,Chern, Yaw-Tern. "Synthesis, characterization and hydrolysis of aromatic polyazomethines containing non-coplanar biphenyl structures". . p. 954 - 964. Retrieved 2011.
• 2、 Chen, Jyh-Chien,Chiang, Chi-Jui,Chiu, Jen-Chun,Ju, Jyh-Jong. "New evidence supporting the mechanism of Gilch polymerization from an extremely twisted biphenyl monomer". . p. 7756 - 7758. Retrieved 2012.
• 3、 Chen, Cheng-Xia,Qiu, Qian-Feng,Pan, Mei,Cao, Chen-Chen,Zhu, Neng-Xiu,Wang, Hai-Ping,Jiang, Ji-Jun,Wei, Zhang-Wen,Su, Cheng-Yong. "Tunability of fluorescent metal-organic frameworks through dynamic spacer installation with multivariate fluorophores". supporting information. p. 13666 - 13669. Retrieved 2019/01/03.