16433-96-8

Basic information

• Product Name: 1-ETHYNYL-2-NITRO-BENZENE
• Synonyms: TOSLAB 723243;2-NITROPHENYLACETYLENE;1-ETHYNYL-2-NITRO-BENZENE;Benzene, 1-ethynyl-2-nitro- (6CI, 7CI, 8CI, 9CI);2-Nitrophenylacetylene,97%
• CAS NO: 16433-96-8
• Molecular Formula: C₈H₅NO₂
• Molecular Weight: 147.13
• Product Categories: NITRO;Miscellaneous;Alkynes;Organic Building Blocks;Terminal
• Mol File: 16433-96-8.mol
• Article Data: 35

Chemical Properties

• Melting Point: 82-85 °C(lit.)
• Boiling Point: 350.79°C (rough estimate)
• Flash Point: 113.2°C
• Appearance: /
• Density: 1.6342 (rough estimate)
• Vapor Pressure: 0.0403mmHg at 25°C
• Refractive Index: 1.5282 (estimate)
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 1-ETHYNYL-2-NITRO-BENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-ETHYNYL-2-NITRO-BENZENE(16433-96-8)
• EPA Substance Registry System: 1-ETHYNYL-2-NITRO-BENZENE(16433-96-8)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 16433-96-8(Hazardous Substances Data)

Usage

General Description

1-Ethynyl-2-nitrobenzene is a chemical compound with the molecular formula C8H5NO2. It is an aromatic nitro compound with a nitrogen atom and a triple bond between carbon atoms. This yellow crystalline solid is used as an intermediate in the production of various chemicals and pharmaceuticals. It is also used as a precursor in the synthesis of organic compounds, particularly in the synthesis of dyes and pesticides. Additionally, 1-ethynyl-2-nitrobenzene is an important building block in organic chemistry research and is used in the development of new materials and pharmaceuticals. The compound exhibits moderate toxicity and should be handled with caution.

InChI:InChI=1/C8H5NO2/c1-2-7-5-3-4-6-8(7)9(10)11/h1,3-6H

Upstream product

• 612-41-9 2-nitrocinnamic acid 
• 98-95-3 nitrobenzene 
• 430434-56-3 (E)-1-[2-bromovinyl]-2-nitrobenzene 
• 558-13-4 carbon tetrabromide 
• 552-89-6 2-nitro-benzaldehyde 
• 253684-24-1 1-(2,2-dibromovinyl)-2-nitrobenzene 
• 577-19-5 2-nitrophenyl bromide 
• 90965-06-3 dimethyl 1-(1-diazo-2-oxopropyl)phosphonate 
• 1092543-15-1 (Z)-1-(2-iodovinyl)-2-nitrobenzene 
• 33507-75-4 Aethyl(4-O-nitrophenyl-2-methyl-3-butyn-2-yl)acetal (IIIa) 
• 70321-33-4 2,3-dibromo-3-(2-nitrophenyl)propanoic acid 
• 552-16-9 ortho-nitrobenzoic acid 
• 610-14-0 2-nitrobenzyl chloride 
• 113639-15-9 1-(2-Nitro-phenyl)-2-[1,3,3-trimethyl-1,3-dihydro-indol-(2E)-ylidene]-ethanone 

Downstream Products

• 848785-51-3 1,1-dimethyl-3-(2'-nitro)phenyl-silacyclohexene-2 
• 1008453-87-9 C₁₉H₁₅NO₄ 
• 25410-92-8 2-[2-(2-nitrophenyl)-2-oxoethylidene]-1,2-dihydroindole-3-one 
• 1265623-59-3 C₁₆H₁₃NO 

Relevant articles and documents

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Rhodium-catalysed: Ortho -alkynylation of nitroarenes

The ortho-alkynylation of nitro-(hetero)arenes takes place in the presence of a Rh(iii) catalyst to deliver a wide variety of alkynylated nitroarenes regioselectively. These interesting products could be further derivatized by selective reduction of the nitro group or palladium-catalysed couplings. Experimental and computational mechanistic studies demonstrate that the reaction proceeds via a turnover-limiting electrophilic C-H metalation ortho to the strongly electron-withdrawing nitro group. This journal is

Electrochemically Enabled Selenium Catalytic Synthesis of 2,1-Benzoxazoles fromo-Nitrophenylacetylenes

The study reported an electrochemically mediated method for the preparation of 2,1-benzoxazoles fromo-nitrophenylacetylenes. Different from the traditional electrochemical reduction of nitro to nitroso, the nitro group directly underwent a cyclization rea

DBU-Mediated Synthesis of Aryl Acetylenes or 1-Bromoethynylarenes from Aldehydes

Two well known synthetic organic reactions Ramirez olefination and Corey-fuchs reactions are integrated in one-pot sequential manner for the synthesis of arylacetylenes and 1,3-enynes starting directly from commercially available aldehydes. The bicyclic amidine 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) along with additive NaOH not only exclusively afforded the terminal alkynes directly from the aldehydes, but also enhanced the reaction rate. The dynamic nature of DBU also facilitated the isolation of 1-bromoalkynes intermediate products. Selection of additive from NaOH and H2O served as a switch for the synthesis of terminal alkyne and 1-bromoalkynes, respectively. (Figure presented.).