52670-38-9

Basic information

• Product Name: 2-ETHYNYLANILINE 98
• Synonyms: 2-ETHYNYLANILINE 98;2-Ethynyl aniline (2-aminophenylacetylene);Benzenamine, 2-ethynyl- (9CI);2-Ethynylaniline;2-Ethynyl-phenylaMine;2-Ethynyl-benzenaMine;2-Ethynylaniline 98%;Benzenamine, 2-ethynyl-
• CAS NO: 52670-38-9
• Molecular Formula: C₈H₇N
• Molecular Weight: 117.14788
• Product Categories: Alkynes;Organic Building Blocks;Terminal
• Mol File: 52670-38-9.mol
• Article Data: 110

Chemical Properties

• Boiling Point: 229-230 °C(lit.)
• Flash Point: 209 °F
• Appearance: /
• Density: 1.030 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.109mmHg at 25°C
• Refractive Index: n20/D 1.6200(lit.)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 1?+-.0.10(Predicted)
• CAS DataBase Reference: 2-ETHYNYLANILINE 98(CAS DataBase Reference)
• NIST Chemistry Reference: 2-ETHYNYLANILINE 98(52670-38-9)
• EPA Substance Registry System: 2-ETHYNYLANILINE 98(52670-38-9)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 52670-38-9(Hazardous Substances Data)

Usage

General Description

2-Ethynylaniline 98 is a chemical compound with the molecular formula C8H7N. It is a white to light brown solid at room temperature with a melting point of around 112-114°C. 2-ETHYNYLANILINE 98 is primarily used as an intermediate in the production of various dyes and pigments. It can also be used as a building block in the synthesis of pharmaceuticals and agrochemicals. Additionally, 2-Ethynylaniline 98 is a versatile reagent in organic synthesis, and it can undergo various chemical reactions to form different derivatives for different applications. As a chemical, it should be handled and stored with proper care, as it may pose hazards to human health and the environment if not managed appropriately.

InChI:InChI=1/C8H7N/c1-2-7-5-3-4-6-8(7)9/h1,3-6H,9H2

Upstream product

• 79092-33-4 C₈H₄KLi 
• 103529-16-4 2-[(trimethylsilyl)ethynyl]aniline 
• 67177-79-1 phenylnitroacetylene 
• 16433-96-8 2-ethynyl-1-nitrobenzene 
• 615-36-1 2-bromoaniline 
• 74-86-2 acetylene 
• 615-43-0 2-iodophenylamine 
• 115-19-5 2-methyl-but-3-yn-2-ol 
• 552-89-6 2-nitro-benzaldehyde 
• 430434-56-3 (E)-1-[2-bromovinyl]-2-nitrobenzene 
• 70321-33-4 2,3-dibromo-3-(2-nitrophenyl)propanoic acid 
• 612-41-9 2-nitrocinnamic acid 
• 669090-69-1 1-azido-2-ethynyl-benzene 
• 157869-14-2 4-(2-amino-phenyl)-2-methyl-but-3-yn-2-ol 

Downstream Products

• 148550-52-1 ethyl N-(2-ethynylphenyl)carbamate 
• 180689-33-2 3-(2-aminophenyl)-1-phenyl-2-propyn-1-one 
• 169170-37-0 2-(2'-aminophenylethynyl)benzoic acid methyl ester 
• 820210-76-2 methyl 5-amino-4-[(2-aminophenyl)ethynyl]-7-methyl-2-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate 
• 851227-33-3 {4-[3-(2-aminophenylethynyl)-5-isopropyl-4-methoxymethoxybenzyl]-3,5-dimethylphenoxy}acetic acid methyl ester 
• 7461-34-9 N-benzyl-p-chlorobenzamide 
• 201813-48-1 N-{2-[(4-acetylphenyl)ethynyl]phenyl}-2,2,2-trifluoroacetamide 
• 703-61-7 2,4-dichloroquinoline 
• 474335-71-2 (E)-ethyl N-(2-ethynylphenyl)formimidate 
• 474335-70-1 (E)-N-benzylidene-2-ethynylaniline 

Relevant articles and documents

Divergent Carbocatalytic Routes in Oxidative Coupling of Benzofused Heteroaryl Dimers: A Mechanistic Update

Mildly thermal air or HNO3 oxidized activated carbons catalyse oxidative dehydrogenative couplings of benzo[b]fused heteroaryl 2,2’-dimers, e.g., 2-(benzofuran-2-yl)-1H-indole, to chiral 3,3’-coupled cyclooctatetraenes or carbazole-type migrative products under O2 atmosphere. DFT calculations show that the radical cation and the Scholl-type arenium cation mechanisms lead to different products with 2-(benzofuran-2-yl)-1H-indole, being in accord with experimental product distributions.

New Indolo[3,2-b]indole based small organic molecules for Organic Thin Film Transistors (OTFTs): A combined experimental and DFT Study

Synthesis of new indolo[3,2-b]indoles (5a- 5j) in presence of Ag-doped ZnO and (Diacetoxyiodo) benzene system under visible-light have been reported. All the new fused linear heterocyclic indolo[3,2-b]indole systems (5a- 5j) thoroughly characterized by spectroscopic methods like mass, UV-visible, NMR and C, H, N elemental analysis. Further, their photophysical properties were carried out by combined experimental and theoretical studies. Thermogravimetric studies are carried out to confirm the thermal stability of molecules. The frontier molecular orbitals of molecules are characterized with the help of cyclic voltammetry. Additionally, the compounds of series 5 were used for the fabrication of organic thin-film transistors, which indicated the hole mobilities in the range of 0.11 – 0.85 cm2/Vs and with on/off ratio 105 on ODTS-SiO2 substrate at 50 °C and are also supported by DFT studies.

Metal-free cascade boron–heteroatom addition and alkylation with diazo compounds

Transition metal-catalyzed carbene transfer reaction is one of the most notable advances for C?C bond formation reactionsduring the past decade, which has been widely employed in the preparation of C3-substituted indoles. Here, we described an efficient e