50529-33-4

Basic information

• Product Name: 3-CHLORO-4-FLUOROPHENYL ISOCYANATE
• Synonyms: 3-CHLORO-4-FLUOROPHENYL ISOCYANATE;3-Chloro-4-fluorophenyl isocyanate 97%;3-Chloro-4-fluorophenylisocyanate97%;3-Chloro-4-fluorophenyl isocyanate,98%;2-chloro-1-fluoro-4-isocyanatobenzene(SALTDATA: FREE)
• CAS NO: 50529-33-4
• Molecular Formula: C₇H₃ClFNO
• Molecular Weight: 171.56
• Product Categories: Phenyl isocyanate&Phenyl isothiocyanate;Isocyanates;Nitrogen Compounds;Organic Building Blocks
• Mol File: 50529-33-4.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 44 °C17 mm Hg(lit.)
• Flash Point: 190 °F
• Appearance: Clear colorless to slightly yellow/Liquid
• Density: 1.377 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0723mmHg at 25°C
• Refractive Index: n20/D 1.541(lit.)
• Storage Temp.: Refrigerator (+4°C)
• Sensitive: Moisture Sensitive
• BRN: 973324
• CAS DataBase Reference: 3-CHLORO-4-FLUOROPHENYL ISOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CHLORO-4-FLUOROPHENYL ISOCYANATE(50529-33-4)
• EPA Substance Registry System: 3-CHLORO-4-FLUOROPHENYL ISOCYANATE(50529-33-4)

Safety Data

• Hazard Codes: Xn,T,Xi
• Statements: 20/21/22-36/37/38-42-25-23
• Safety Statements: 26-36/37/39-45-23
• RIDADR: UN 2206 6.1/PG 2
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 50529-33-4(Hazardous Substances Data)

Usage

Chemical Properties

colorless to light yellow liquid

InChI:InChI=1/C7H3ClFNO/c8-6-3-5(10-4-11)1-2-7(6)9/h1-3H

Upstream product

• 367-21-5 3-chloro-4-fluorophenylamine 
• 32315-10-9 bis(trichloromethyl) carbonate 
• 75-44-5 phosgene 

Downstream Products

• 877121-65-8 C₁₂H₂₁N₂OSO₂CF₃CONC₆H₃ClF 

Relevant articles and documents

Design, synthesis and anticancer activity of a new series of n-aryl-n′-[4-(Pyridin-2-ylmethoxy)benzyl]urea derivatives

The development of cancer treatments requires continuous exploration and improvement, in which the discovery of new drugs for the treatment of cancer is still an important pathway. In this study, based on the molecular hybridization strategy, a new structural framework with an N-aryl-N’-arylmethylurea scaffold was designed, and 16 new target compounds were synthesized and evaluated for their antiproliferative activities against four different cancer cell lines A549, MCF7, HCT116, PC3, and human liver normal cell line HL7702. The results have shown seven compounds with 1-methylpiperidin-4-yl groups having excellent activities against all four cancer cell lines, and they exhibited scarcely any activities against HL7702. Among them, compound 9b and 9d showed greatly excellent activity against the four kinds of cells, and the IC50 for MCF7 and PC3 cell lines were even less than 3μM.

Design, synthesis and biological evaluation of urea-based benzamides derivatives as HDAC inhibitors

A new class of urea-based benzamides derivatives were designed and synthesized as histone deacetylases inhibitors. Biological evaluations of these compounds included the inhibitory activity of histone deacetylases1 and cytotoxicity against different cancer cell lines in vitro. Most compounds exhibited potential histone deacetylases inhibitory activity and antitumor activities. Compound 5h behaved as potent histone deacetylases1 inhibitor (IC50 = 0.182 μM) and showed comparable cytotoxicity with MS-275, which could be considered as a potential candidate compound for further development.

Discovery of novel diaryl urea derivatives bearing a triazole moiety as potential antitumor agents

Herein, we report a novel series of diaryl urea derivatives bearing a triazole moiety, from which potent antitumor agents have been identified. With a modified triazole, most compounds showed high level activity in both cellular and enzymatic assays, accompanied with a suitable ClogD7.4 value. The most active compound, 13i, effectively suppressed proliferation of HT-29, H460 and MDA-MB-231 cancer cells, with IC50 values of 0.90, 0.85 and 1.54 μM, respectively. Compound 13i also exhibited significant inhibition of tyrosine kinases including c-Kit, RET and FLT3. Furthermore, compound 13i could obviously induce apoptosis of HT-29 cells in a concentration-dependent manner. The study of structure-activity relationships also revealed that a hydrophilic tail at the 4-position of the triazole was crucial for high activity of the compound.