39718-32-6

Basic information

• Product Name: 2,5-DIFLUOROPHENYL ISOCYANATE
• Synonyms: 2,5-DIFLUOROPHENYL ISOCYANATE;1,4-Difluoro-2-isocyanato-benzene;2,5-Difluorophenyl isocyanate 97%;2,5-Difluorophenylisocyanate97%;Isocyanic Acid 2,5-Difluorophenyl Ester;2,5-Difluorophenyl isocyanate,98%;1,4-difluoro-2-isocyanatobenzene(SALTDATA: FREE);2,5-Difluorophenyl isocyanate, 98% 1GR
• CAS NO: 39718-32-6
• Molecular Formula: C₇H₃F₂NO
• Molecular Weight: 155.1
• EINECS: -0
• Product Categories: Phenyl isocyanate&Phenyl isothiocyanate;Isocyanates;Nitrogen Compounds;Organic Building Blocks;Fluorine series
• Mol File: 39718-32-6.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 78 °C (33 mmHg)
• Flash Point: 133 °F
• Appearance: colorless to light yellow liquid
• Density: 1.323 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.494(lit.)
• Storage Temp.: 0-6°C
• Sensitive: Moisture Sensitive/Lachrymatory
• BRN: 2091753
• CAS DataBase Reference: 2,5-DIFLUOROPHENYL ISOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-DIFLUOROPHENYL ISOCYANATE(39718-32-6)
• EPA Substance Registry System: 2,5-DIFLUOROPHENYL ISOCYANATE(39718-32-6)

Safety Data

• Hazard Codes: Xn,T,Xi
• Statements: 20/21/22-36/37/38-23/25
• Safety Statements: 23-26-45-36/37/39
• RIDADR: UN 3080 6.1/PG 2
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: II
• Hazardous Substances Data: 39718-32-6(Hazardous Substances Data)

Usage

Chemical Properties

colorless to light yellow liquid

Uses

2,5-Difluorophenyl isocyanate may be used in the preparation of a potential antiatherosclerotic agent.

General Description

2,5-Difluorophenyl isocyanate is an aryl fluorinated building block. It is also referred as 2,5-difluorophenyl ester of isocyanic acid.

Upstream product

• 75-44-5 phosgene 
• 32315-10-9 bis(trichloromethyl) carbonate 
• 367-30-6 2,5-difluoroaniline 

Downstream Products

• 1620784-91-9 C₁₂H₁₀F₂N₄O₂ 
• 1620784-67-9 C₁₃H₁₂F₂N₄O₃ 
• 1620784-51-1 C₁₂H₉ClF₂N₄O 
• 1620784-27-1 N-(2,5-difluorophenyl)-N'-(2-aminopyrimidyl)urea 
• 1620784-07-7 C₁₂H₉ClF₂N₄O₂ 
• 1442473-31-5 1-(5-(7-((4-methoxybenzyl)(methyl)amino)-1-ethyl-2-oxo-1,2,4a,8a-tetrahydro-1,6-naphthyridin-3-yl)-2,4-difluorophenyl)-3-(2,5-difluorophenyl)urea 
• 1442473-57-5 1-(4-chloro-5-(1-ethyl-7-((4-methoxybenzyl)(methyl)amino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl)-2-fluorophenyl)-3-(2,5-difluorophenyl)urea 
• 1442473-29-1 1-(2,5-difluorophenyl)-3-(5-(1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl)-2-fluoro-4-methylphenyl)urea 
• 1384460-76-7 diethyl 4-(4-(3-(2,5-difluorophenyl)ureido)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate 

Relevant articles and documents

N-fluorinated phenyl-N′-pyrimidyl urea derivatives: Synthesis, biological evaluation and 3D-qsar study

With the increase of herbicide-resistant weeds, novel, more selective and even more potent herbicides to control weeds are needed. In this paper, a series of N-fluorinated phenyl-N′-pyrimidyl urea derivatives were synthesized and screened for their herbicidal activities against Amaranthus retroflexus (AR) and Setaria viridis (SV). Compound 25 (N-(3-trifluoromethylphenyl)-N′-(2- amino-4-chloro-6-methylpyrimidyl) urea) exhibited marked herbicidal activity against SV (IC50 = 11.67 mg/L) and is more potent than bensulfuron (IC50 = 27.45 mg/L), a commercially available herbicide. A statistically significant CoMFA model with high prediction abilities (q 2 = 0.869, r2 = 0.989) was obtained.