Divinylacetylene

Base Information

• Chemical Name: Divinylacetylene
• CAS No.: 821-08-9
• Molecular Formula: C6H6
• Molecular Weight: 78.1136
• UN Number: 1993
• UNII: 99P0CFP5ME
• DSSTox Substance ID: DTXSID70231561
• Nikkaji Number: J7.121H
• Wikidata: Q27272225
• Mol file: 821-08-9.mol

Synonyms:Divinylacetylene;1,5-HEXADIEN-3-YNE;hexa-1,5-dien-3-yne;821-08-9;UNII-99P0CFP5ME;99P0CFP5ME;divinylacetylen;divinyl acetylene;1,5-Hexadiene-3-yne;CH2=CHC.$.CCH=CH2;DTXSID70231561;AKOS006278789;Q27272225

Chemical Property of Divinylacetylene

Chemical Property:

• Vapor Pressure: 79mmHg at 25°C
• Melting Point: -88°C
• Refractive Index: 1.5035
• Boiling Point: 85°C at 760 mmHg
• PSA: 0.00000
• Density: 0.772g/cm³
• LogP: 1.36180
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 78.0469501914
• Heavy Atom Count: 6
• Complexity: 94.5

Purity/Quality:

99% ,98%,Electron Grade , ^*data from raw suppliers

1,5-HEXADIEN-3-YNE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC#CC=C

Technology Process of Divinylacetylene

There total 4 articles about Divinylacetylene 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:

cyclopentene (142-29-0) → styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + naphthalene (91-20-3,71998-51-1,72931-45-4) + penta-1,3-diene (504-60-9,17410-45-6,25212-15-1,64940-84-7) + propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + 1,4-Pentadiene (591-93-5) + methane (34557-54-5,27936-85-2) + butene-2 (107-01-7) + ethane (74-84-0) + ethene (74-85-1) + 1,2-propanediene (463-49-0) + 1,5-Hexadien (592-42-7) + 9,10-dihydrofulvalene (21423-86-9) + 1-allylcyclopenta-1,3-diene (10193-25-6) + cyclopentadienylidene (4729-01-5) + hydrogen (1333-74-0) + cyclopenta-1,3-diene (542-92-7,25568-84-7,7313-32-8) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) + hexa-1,5-dien-3-yne (821-08-9) + toluene (108-88-3,15644-74-3,16713-13-6) + 1-indene (95-13-6) + prop-1-yne (74-99-7) + acetylene (74-86-2,25067-58-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1)

Guidance literature:

at 499.84 - 799.84 ℃; under 800.33 Torr; Gas phase; Pyrolysis;

DOI:10.1021/acs.jpca.5b09203

Reference yield:

acetylene (74-86-2,25067-58-7) → 3-buten-1-yne (689-97-4) + chloroethylene (75-01-4,9002-86-2) + acetaldehyde (75-07-0,9002-91-9) + hexa-1,5-dien-3-yne (821-08-9) + chloroprene (126-99-8,14523-89-8,9010-98-4)

Guidance literature:

With hydrogenchloride; water; ammonium chloride; copper(l) chloride; strontium chloride; In water; at 85 ℃; Reagent/catalyst; Temperature; Catalytic behavior; Inert atmosphere; Flow reactor;

DOI:10.14233/ajchem.2014.17994

Reference yield:

acetylene (74-86-2,25067-58-7) → 3-buten-1-yne (689-97-4) + hexa-1,5-dien-3-yne (821-08-9)

Guidance literature:

With water; copper(l) chloride; at 25 - 65 ℃; Gegenwart von Kupfer;

upstream raw materials:

acetylene

cyclopentene

Downstream raw materials:

bis-(3-phenyl-4,5-dihydro-isoxazol-5-yl)-acetylene

1,6-bis-p-tolylsulfanyl-hex-3-yne

3-methoxy-hexa-1,3,4-triene

2-methyltetrahydro-4H-pyran-4-one