3-CHLORO-4-FLUOROPHENYL ISOTHIOCYANATE

Base Information

• Chemical Name: 3-CHLORO-4-FLUOROPHENYL ISOTHIOCYANATE
• CAS No.: 137724-66-4
• Molecular Formula: C7H3ClFNS
• Molecular Weight: 187.625
• Hs Code.: 29309090
• Mol file: 137724-66-4.mol

Synonyms:2-Chloro-1-fluoro-4-isothiocyanatobenzene;3-Chloro-4-fluorophenyl isothiocyanate;

Chemical Property of 3-CHLORO-4-FLUOROPHENYL ISOTHIOCYANATE

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Boiling Point: 279.7 °C at 760 mmHg
• Flash Point: 122.9 °C
• PSA: 44.45000
• Density: 1.31 g/cm³
• LogP: 3.21340
• Sensitive.: Moisture Sensitive/Lachrymatory

Purity/Quality:

99.3% ^*data from raw suppliers

3-Chloro-4-fluorophenylIsothiocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, C
• Hazard Codes: T,C,Xn
• Statements: 23/24/25-22
• Safety Statements: 45-36/37/39-28A

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-CHLORO-4-FLUOROPHENYL ISOTHIOCYANATE

There total 10 articles about 3-CHLORO-4-FLUOROPHENYL ISOTHIOCYANATE 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: 88.2%

→ 3-chloro-4-fluorophenyl isothiocyanate (137724-66-4)

Guidance literature:

With bis(trichloromethyl) carbonate; In chloroform; at -5 ℃; Reflux;

Reference yield: 75.0%

3-chloro-4-fluorophenylamine (367-21-5) + thiophosgene (463-71-8) → 3-chloro-4-fluorophenyl isothiocyanate (137724-66-4)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; water; at 0 - 20 ℃; for 1.5h;

DOI:10.1016/j.tetlet.2010.05.027

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + 3-chloro-4-fluorophenylamine (367-21-5) → 3-chloro-4-fluorophenyl isothiocyanate (137724-66-4)

Guidance literature:

With ammonium hydroxide; In ethanol; for 4h; Ambient temperature;

DOI:10.1135/cccc19920656

upstream raw materials:

carbon disulfide

3-chloro-4-fluorophenylamine

thiophosgene

N,N-Dimethylthiocarbamoyl chloride

Downstream raw materials:

Sodium; 1-(3-chloro-4-fluoro-phenylamino)-2,2-bis-ethoxycarbonyl-ethenethiolate

N,N'-Di(3-chloro-4-fluorophenyl)thiourea

1-(3-chloro-4-fluorophenyl)-3-(4H-1,2,4-triazol-4-yl)thiourea

1-(3-chloro-4-fluoro-phenyl)-3-(2-hydroxy-1,1-bis-hydroxymethyl-ethyl)-thiourea

Refernces

• 1、 Xiang, Jiawei,Tao, Lei,Zhou, Yue,Tan, Yuping,Li, Zicheng,Zhao, Yinglan,Sun, Qingxiang,Luo, Youfu. "Synthesis and biological evaluation of innovative thiourea derivatives as PHGDH inhibitors". . p. 3873 - 3886. Retrieved 2020/05/29.
• 2、 Huang, Ri-Zhen,Zhang, Bin,Huang, Xiao-Chao,Liang, Gui-Bin,Qin, Jian-Mei,Pan, Ying-Ming,Liao, Zhi-Xin,Wang, Heng-Shan. "Synthesis and biological evaluation of terminal functionalized thiourea-containing dipeptides as antitumor agents". . p. 8866 - 8878. Retrieved 2017/02/10.