3,5-Dinitrophenylacetylene

Base Information

Chemical Name:3,5-Dinitrophenylacetylene
CAS No.:95577-54-1
Molecular Formula:C8H4 N2 O4
Molecular Weight:192.131
Hs Code.:2904209090
DSSTox Substance ID:DTXSID00478841
Wikidata:Q82312481
Mol file:95577-54-1.mol

Synonyms:3,5-DINITROPHENYLACETYLENE;95577-54-1;1-ETHYNYL-3,5-DINITROBENZENE;SCHEMBL5494054;DTXSID00478841;AKOS006278586;FT-0691042

Suppliers and Price of 3,5-Dinitrophenylacetylene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
3,5-DINITROPHENYLACETYLENE 95.00%
5MG
$ 498.58

Total 7 raw suppliers

Chemical Property of 3,5-Dinitrophenylacetylene

Chemical Property:

PSA：91.64000
LogP:2.53070
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:192.01710661
Heavy Atom Count:14
Complexity:273

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

3,5-DINITROPHENYLACETYLENE 95.00% ^*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-])[N+](=O)[O-]

Technology Process of 3,5-Dinitrophenylacetylene

There total 7 articles about 3,5-Dinitrophenylacetylene 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: 81.0%

: C₁₁H₁₂N₂O₄Si

: 95577-54-1
1-ethynyl-3,5-dinitrobenzene

Guidance literature:: With potassium hydroxide; In ethanol;
DOI:10.1039/c8nj00693h

Reference yield: 78.0%

: 95577-55-2
1,3,3-trimethyl-2-(3,5-dinitrophenacylidene)indoline

: 20200-86-6
1,3,3-trimethyl-1,3-dihydro-2H-indol-2-one

: 95577-54-1
1-ethynyl-3,5-dinitrobenzene

Guidance literature:: With trichlorophosphate; In 1,4-dioxane; at 80 ℃; for 4h; Yields of byproduct given;
DOI:10.1007/BF00475641

Reference yield:

: 99-33-2
3,5-dinitrobenoyl chloride

: 95577-54-1
1-ethynyl-3,5-dinitrobenzene

Guidance literature:: Multi-step reaction with 3 steps

1: Fischer base

2: POCl₃ / dioxane / 4 h / 80 °C

3: aq. NaOH / Ambient temperature

With sodium hydroxide; 1,3,3-Trimethyl-2-methyleneindoline; trichlorophosphate; In 1,4-dioxane;