91-43-0

Basic information

• Product Name: 1-CHLORO-2,5-DIETHOXY-4-NITROBENZENE
• Synonyms: 2,5-DIETHOXY-4-NITROCHLOROBENZENE;2,5-DIETHOXY-4-CHLORO NITROBENZENE;1-CHLORO-2,5-DIETHOXY-4-NITROBENZENE;4-CHLORO-2,5-DIETHOXYNITROBENZENE;1-chloro-2,5-diethoxy-4-nitro-benzen;5-Chloro-2-nitro-p-diethoxybenzene;1-Chlor-2,5-diethoxy-4-nitrobenzol;2-Chloro-5-nitrohydroquinone diethyl ether
• CAS NO: 91-43-0
• Molecular Formula: C₁₀H₁₂ClNO₄
• Molecular Weight: 245.66
• EINECS: 202-067-3
• Mol File: 91-43-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 368.4 °C at 760 mmHg
• Flash Point: 176.6 °C
• Appearance: /
• Density: 1.264 g/cm³
• Vapor Pressure: 2.7E-05mmHg at 25°C
• Refractive Index: 1.533
• CAS DataBase Reference: 1-CHLORO-2,5-DIETHOXY-4-NITROBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-CHLORO-2,5-DIETHOXY-4-NITROBENZENE(91-43-0)
• EPA Substance Registry System: 1-CHLORO-2,5-DIETHOXY-4-NITROBENZENE(91-43-0)

Safety Data

• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g
• Hazardous Substances Data: 91-43-0(Hazardous Substances Data)

Usage

General Description

1-Chloro-2,5-diethoxy-4-nitrobenzene is a chemical substance used extensively in the industrial sector, particularly within chemical production. It's usually produced in laboratory settings and its chemical formula is C10H13ClN2O4. 1-Chloro-2,5-diethoxy-4-nitrobenzene is part of a class of organic compounds known as nitrobenzenes. Nitrobenzenes are compounds containing a nitro group attached to a benzene ring. It has a molar mass of 248.67 g/mol. Not much is known about its physical and chemical properties as opposed to its primary use in industry. However, like all chemicals, handling and usage must be done prudently to prevent potential hazards.

InChI:InChI=1/C10H12ClNO4/c1-3-15-9-6-8(12(13)14)10(16-4-2)5-7(9)11/h5-6H,3-4H2,1-2H3

Upstream product

• 52196-74-4 2-chloro-1,4-diethoxybenzene 
• 615-67-8 chloro-p-hydroquinone 

Downstream Products

• 98660-33-4 1,4-diethoxy-2-(4-methoxy-phenylsulfanyl)-5-nitro-benzene 
• 102011-17-6 1,4-diethoxy-2-(4-methoxy-2,5-dimethyl-phenylsulfanyl)-5-nitro-benzene 
• 68400-47-5 1,4-diethoxy-2-nitro-5-p-tolylsulfanyl-benzene 
• 1159074-31-3 1-chloro-2,5-diethoxy-4-isothiocyanatobenzene 
• 1159073-58-1 1-(4-chloro-2,5-diethoxyphenyl)-3-(3-propoxypropyl)thiourea 
• 1159073-84-3 1-(4-chloro-2,5-diethoxyphenyl)-3-hexylthiourea 
• 1159073-87-6 1-(4-chloro-2,5-diethoxyphenyl)-3-heptylthiourea 
• 35271-60-4 4-chloro-2,5-diethoxyaniline 

Relevant articles and documents

Structure-activity relationship studies of 1-(4-chloro-2,5-dimethoxyphenyl) -3-(3-propoxypropyl)thiourea, a non-nucleoside reverse transcriptase inhibitor of human immunodeficiency virus type-1

The reverse transcriptase (RT) of the human immunodeficiency virus type-1 (HIV-1) is still a prime target for drug development due to the continuing need to block drug-resistant RT mutants by new inhibitors. We have previously identified 1-(4-chloro-2,5-dimethoxyphenyl)-3-(3-propoxypropyl)thiourea, compound 1, as a potent RT inhibitor from an available chemical library. Here, we further modified this compound to study structure-activity relationships when replacing various groups in the molecule. Different functional groups were systematically introduced on the aromatic ring and the aliphatic chain of the compound was modified. The effect of these modifications on viral infectivity was then evaluated. The most potent compound found was propyl 4-(amino-N-(4-chloro-2,5-dimethoxyphenyl)methanethioamino)butanoate, 45c, which inhibited infectivity with a calculated IC50 of about 1.1 μM. Docking studies identified potential important interactions between the top scoring ligands and HIV-1 RT, and the predicted relative affinity of the ligands was found to be in agreement with the experimental results.