1-Buten-3-yne

Base Information

Chemical Name:1-Buten-3-yne
CAS No.:689-97-4
Molecular Formula:C4H4
Molecular Weight:52.0758
Hs Code.:
European Community (EC) Number:211-713-3
UN Number:1954
UNII:VW72FM10OQ
DSSTox Substance ID:DTXSID4029199
Nikkaji Number:J1.725F
Wikipedia:Vinylacetylene
Wikidata:Q422748
Metabolomics Workbench ID:56898
Mol file:689-97-4.mol

Synonyms:1-Butenyne;1-Butyn-3-ene; 3-Buten-1-yne; 3-Butyn-1-ene; Butenyne; Ethene, ethynyl-;Monovinylacetylene; Vinylacetylene; Vinylethyne

Suppliers and Price of 1-Buten-3-yne

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
1-BUTEN-3-YNE 95.00%
100G
$ 3031.88

Total 27 raw suppliers

Chemical Property of 1-Buten-3-yne

Chemical Property:

Vapor Pressure:1520mmHg at 25°C
Melting Point:203 °C(Solv: water (7732-18-5))
Refractive Index:1.4161
Boiling Point:5.1°C at 760 mmHg
PSA：0.00000
Density:0.709g/cm³
LogP:0.80560
XLogP3:1.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:0
Exact Mass:52.0313001276
Heavy Atom Count:4
Complexity:51.7
Transport DOT Label:Flammable Gas

Purity/Quality:

97% ^*data from raw suppliers

1-BUTEN-3-YNE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Other Classes -> Aliphatics, Unsaturated
Canonical SMILES:C=CC#C
General Description 1-Buten-3-yne (vinylacetylene) is a molecule with two distinct π-acceptor sites, making it a prototype for studying hydrogen bonding interactions, as demonstrated by its formation of a T-shaped hydrogen-bonded dimer with HCl. Spectroscopic studies, including rotational and vibrational analyses, have characterized its structure and dynamics, revealing fine rotational transitions and coupling constants. It is also a key intermediate in acetylene pyrolysis, forming via radical chain reactions at low temperatures, and serves as a product in catalytic acetylene dimerization, where modified catalysts enhance its selective production. Its reactivity and structural properties are well-documented across spectroscopic and catalytic studies.

Technology Process of 1-Buten-3-yne

There total 141 articles about 1-Buten-3-yne 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: 0.3%

: 1574-41-0,17410-45-6,25212-15-1,64940-84-7
Z-piperylene

: 689-97-4
3-buten-1-yne

: 2004-70-8,17410-45-6,25212-15-1,64940-84-7
1-methylbuta-1,3-diene

: 4461-48-7
4-methyl-2-pentene

: 542-92-7,25568-84-7,7313-32-8
cyclopenta-1,3-diene

: 106-99-0,130983-70-9,29406-96-0,9003-17-2
buta-1,3-diene

: 74-86-2,25067-58-7
acetylene

Guidance literature:: at 20 ℃; under 0.4 Torr; Product distribution; Irradiation; variation of pressure and additives;

Reference yield:

: 74-86-2,25067-58-7
acetylene

: 689-97-4
3-buten-1-yne

: 100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6
styrene

: 74-85-1
ethene

: 71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1
benzene

Guidance literature:: at 696.85 ℃; under 203 Torr; Further Variations:; Pressures; Temperatures; Product distribution;
DOI:10.1039/b412585a

Reference yield:

: 98-82-8
Isopropylbenzene

: 689-97-4
3-buten-1-yne

: 100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6
styrene

: 100-41-4,27536-89-6
ethylbenzene

: 106-99-0,130983-70-9,29406-96-0,9003-17-2
buta-1,3-diene

: 74-86-2,25067-58-7
acetylene

: 98-83-9,6144-04-3,25014-31-7,42612-14-6
isopropenylbenzene

Guidance literature:: With oxygen; at 726.9 ℃; Mechanism; gas phase oxidation in flow reactor at various temperatures;
DOI:10.1021/j100275a031