30087-46-8

Basic information

• Product Name: 1-chloro-4-(isocyanatophenoxy)benzene
• Synonyms: 1-chloro-4-(isocyanatophenoxy)benzene
• CAS NO: 30087-46-8
• Molecular Formula: C₁₃H₈ClNO₂
• Molecular Weight: 245.66112
• EINECS: 250-038-9
• Mol File: 30087-46-8.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 336.9°Cat760mmHg
• Flash Point: 157.6°C
• Appearance: /
• Density: 1.21g/cm³
• Vapor Pressure: 0.000108mmHg at 25°C
• Refractive Index: 1.577
• CAS DataBase Reference: 1-chloro-4-(isocyanatophenoxy)benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-chloro-4-(isocyanatophenoxy)benzene(30087-46-8)
• EPA Substance Registry System: 1-chloro-4-(isocyanatophenoxy)benzene(30087-46-8)

Safety Data

• Hazardous Substances Data: 30087-46-8(Hazardous Substances Data)

Usage

Chemical compound

Yes

Usage

Building block in the synthesis of polyurethane polymers

Reactivity

Highly reactive

Health hazards

Causes irritation to skin, eyes, and respiratory system

Allergenic potential

Sensitizer, can induce allergic reactions in some individuals

Safety measures

Proper safety measures and handling procedures should be in place when working with 1-chloro-4-(isocyanatophenoxy)benzene

InChI:InChI=1/C13H8ClNO2/c14-10-1-5-12(6-2-10)17-13-7-3-11(4-8-13)15-9-16/h1-8H

Upstream product

• 32315-10-9 bis(trichloromethyl) carbonate 
• 101-79-1 4-amino-4'-chlorodiphenyl ether 

Downstream Products

• 23121-85-9 C₂₁H₁₇ClN₂O₅ 
• 22546-51-6 C₁₄H₁₄ClN₃O₂ 
• 1982-47-4 chloroxuron 

Relevant articles and documents

Synthesis and structure-activity relationships of trisubstituted phenyl urea derivatives as neuropeptide Y5 receptor antagonists

1-((1R,2R)-2-Hydroxy-1-methyl-2-phenylethyl)-1-methyl-3-(4-phenoxyphenyl)urea (1) was identified as a hit from the screening of the neuropeptide Y5 (NPY5) receptor. This lead was optimized for in vitro potency by changing the stereochemistry, the phenylethyl segment, the urea portion, and the 4-phenoxyphenyl group on the molecule. Over 40 analogues of 1 were prepared to study the structure-activity relationship for this series. The most potent compounds in this class have IC50S less than 0.1 nM at the NPY5 receptor (e.g., 40f, 44a, and 47). To determine the functional activity for this series of compounds, selected analogues were tested in a cellular assay measuring forskolin-induced cyclic AMP accumulation in 293 cells transfected with the human NPY5 receptor. All urea analogues tested in the functional assay acted as antagonists (e.g., 1, 32, 40a, and 44e).