3-Nitrophenylacetylene

Base Information

• Chemical Name: 3-Nitrophenylacetylene
• CAS No.: 3034-94-4
• Molecular Formula: C8H5NO2
• Molecular Weight: 147.133
• Hs Code.: 2921490090
• European Community (EC) Number: 221-232-0
• DSSTox Substance ID: DTXSID9062807
• Nikkaji Number: J205.344F
• Wikidata: Q72495232
• Mol file: 3034-94-4.mol

Synonyms:3-Nitrophenylacetylene;1-Ethynyl-3-nitrobenzene;3034-94-4;Benzene, 1-ethynyl-3-nitro-;EINECS 221-232-0;MFCD02181150;m-nitrophenylacetylene;3-nitrophenylacetylene';SCHEMBL1477030;DTXSID9062807;AMY6090;BBL101161;STL554957;AKOS005257078;AB11482;CS-W004347;GS-4365;SY009354;(3R)-METHYL-PYRROLIDINEHYDROCHLORIDE;FT-0649306;N1148;EN300-226819;A876216;J-504618

Chemical Property of 3-Nitrophenylacetylene

Chemical Property:

• Vapor Pressure: 0.0664mmHg at 25°C
• Melting Point: 27 °C
• Refractive Index: 1.579
• Boiling Point: 238.1 °C at 760 mmHg
• Flash Point: 105.9 °C
• PSA: 45.82000
• Density: 1.22 g/cm³
• LogP: 2.09930
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 147.032028402
• Heavy Atom Count: 11
• Complexity: 198

Purity/Quality:

98% ^*data from raw suppliers

3-Nitrophenylacetylene >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC1=CC(=CC=C1)[N+](=O)[O-]

Technology Process of 3-Nitrophenylacetylene

There total 37 articles about 3-Nitrophenylacetylene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

2-methyl-4-(3-nitrophenyl)-3-butyn-2-ol (33432-52-9) → 3-nitrophenylacetylene (3034-94-4)

Guidance literature:

With potassium hydroxide; In toluene; at 80 ℃;

DOI:10.1080/15421400902950030

Reference yield: 94.0%

1,1-dibromo-2-(3-nitrophenyl)ethene (444681-65-6) → 3-nitrophenylacetylene (3034-94-4)

Guidance literature:

With tetrabutyl ammonium fluoride; water; triphenylphosphine; In tetrahydrofuran; at 80 ℃; for 2.5h; Sealed tube;

DOI:10.1002/adsc.201400782

Reference yield: 92.0%

3-(3-nitrophenyl)-2-propyn-1-ol (103606-71-9) → 3-nitrophenylacetylene (3034-94-4)

Guidance literature:

With manganese(IV) oxide; potassium hydroxide; In benzene; at 20 ℃; for 0.416667h;

upstream raw materials:

3-(2-nitrophenyl)-2-propynoic acid

3-(3-nitrophenyl)-1-phenylprop-2-yn-1-one

1-(3-Nitro-phenyl)-2-[1,3,3-trimethyl-1,3-dihydro-indol-(2E)-ylidene]-ethanone

3-(3-nitrophenyl)-2-propyn-1-ol

Downstream raw materials:

5-(3-nitrophenyl)-3-phenylisoxazole

3-Nitroacetophenone

1-(3-nitrophenyl)-2-(4-nitrophenyl)acetylene

1-nitro-3-[(3-nitrophenyl)ethynyl]benzene