104147-69-5

Basic information

• Product Name: 1-(3-BROMOPROPOXY)-2-NITROBENZENE
• Synonyms: 1-(3-BROMOPROPOXY)-2-NITROBENZENE;2-Nitrophenoxypropylbromide;1-(3-Bromopropoxy)-2-nitrobenzene, 90+%;1-(3-BroMopropoxy)-2-nitrobenzene, 90+% 5GR
• CAS NO: 104147-69-5
• Molecular Formula: C₉H₁₀BrNO₃
• Molecular Weight: 260.08
• Mol File: 104147-69-5.mol
• Article Data: 10

Chemical Properties

• Melting Point: 36-39 °C
• Boiling Point: 131-132 °C (0.5 mmHg)
• Flash Point: 150 °C
• Appearance: Pale yellow/Crystalline Powder
• Density: 1.516g/cm³
• Vapor Pressure: 3.58E-05mmHg at 25°C
• Refractive Index: 1.572
• CAS DataBase Reference: 1-(3-BROMOPROPOXY)-2-NITROBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3-BROMOPROPOXY)-2-NITROBENZENE(104147-69-5)
• EPA Substance Registry System: 1-(3-BROMOPROPOXY)-2-NITROBENZENE(104147-69-5)

Safety Data

• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 37/39-26
• Hazardous Substances Data: 104147-69-5(Hazardous Substances Data)

Usage

Chemical Properties

Pale yellow crystalline powder

InChI:InChI=1/C9H10BrNO3/c10-6-3-7-14-9-5-2-1-4-8(9)11(12)13/h1-2,4-5H,3,6-7H2

Upstream product

• 109-64-8 1,3-dibromo-propane 
• 88-75-5 2-hydroxynitrobenzene 
• 109-70-6 1.3-chlorobromopropane 

Downstream Products

• 190449-09-3 4-[3-(2-Nitro-phenoxy)-propoxy]-benzoic acid ethyl ester 
• 1082510-08-4 2-(3-(4-methylpiperazin-1-yl)propoxy)aniline 
• 1254951-09-1 1-adamantan-1-yl-3-(2-(3-(4-methylpiperazin-1-yl)propoxy)phenyl)urea 
• 1254951-52-4 tert-butyl 4-(3-(2-nitrophenoxy)propyl)piperazine-1-carboxylate 
• 401803-26-7 1-methyl-4-(3-(2-nitrophenoxy)propyl)piperazine 
• 103546-10-7 3-(2-nitrophenoxy)-1-propylamine 
• 401802-28-6 C₁₃H₁₉N₃O₃ 
• 47453-94-1 N-<2-(2-Methoxy-phenoxy)-aethyl>-3-(2-nitro-phenoxy)-propylamin 
• 190449-34-4 4-[3-(2-Nitro-phenoxy)-propoxy]-benzoic acid 

Relevant articles and documents

Photoresponsive ionic liquids with an azobenzene moiety

We examined photoresponsive ionic liquids containing an azobenzene moiety. Ionic liquids with a p,p-azobenzene or o,p- tetrafluoroazobenzene moiety exhibit a reversible solid-to-liquid phase transition induced by photo- and thermal-stimulation. o,p-Azobenzene, which exists as an ionic liquid with a bent structure, is in a liquid state even as a trans-isomer. Such photoresponsive ionic liquids may be useful as novel functional materials, such as in optical sensors.

Piperazine substituted 1, 3 - di-substituted urea compound and piperazine substituted amide compounds and a method for its preparation and use

The present invention relates to a class of piperazine substituted 1,3-disubstitued urea compounds and piperazine substituted amide compounds, or pharmaceutically acceptable salts of the piperazine substituted 1,3-disubstitued urea compounds and the piper

Improved model of lanosterol 14α-demethylase by ligand-supported homology modeling: Validation by virtual screening and azole optimization

Lanosterol 14α-demethylase (CYP51) is an important target for antifungal drugs. An improved three-dimensional model of CYP51 from Candida albicans (CACYP51) was constructed by ligand-supported homology modeling and molecular dynamics simulations. The accuracy of the constructed model was evaluated by its performance in a small-scale virtual screen. The results show that known CYP51 inhibitors were efficiently discriminated by the model, and it performed better than our previous CACYP51 model. The active site of CACYP51 was characterized by multiple copy simultaneous search (MCSS) calculations. On the basis of the MCSS results, a series of novel azoles were designed and synthesized, and they showed good in vitro antifungal activity with a broad spectrum. The MIC80 value of four of these compounds against C. albicans is 0.001 μgmL-1, indicating that they are promising leads for the discovery of novel antifungal agents.