1,3-Butadiyne, 1,4-dichloro-

Base Information

• Chemical Name: 1,3-Butadiyne, 1,4-dichloro-
• CAS No.: 51104-87-1
• Molecular Formula: C₄Cl₂
• Molecular Weight: 118.95
• DSSTox Substance ID: DTXSID40965386
• Nikkaji Number: J1.443.235C
• Wikidata: Q82947570
• Mol file: 51104-87-1.mol

Synonyms:1,3-Butadiyne, 1,4-dichloro-;Dichlorobutadiyne;1,4-dichlorobuta-1,3-diyne;dichlorodiacetylene;1,4-DICHLORO-1,3-BUTADIYNE;SCHEMBL11882333;DTXSID40965386

Chemical Property of 1,3-Butadiyne, 1,4-dichloro-

Chemical Property:

• Vapor Pressure: 9.16mmHg at 25°C
• Melting Point: 11.1°C
• Refractive Index: 1.5390 (estimate)
• Boiling Point: 136.4°Cat760mmHg
• Flash Point: 44.1°C
• PSA: 0.00000
• Density: 1.417g/cm³
• LogP: 1.38580
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 117.9377054
• Heavy Atom Count: 6
• Complexity: 123

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(#CCl)C#CCl

Technology Process of 1,3-Butadiyne, 1,4-dichloro-

There total 2 articles about 1,3-Butadiyne, 1,4-dichloro- 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:

Butadiyne (460-12-8,27987-87-7) → 1,4-dichlorodibutyne (51104-87-1)

Guidance literature:

With potassium hypochlorite;

Reference yield:

Butadiyne (460-12-8,27987-87-7) → 1,4-dichlorodibutyne (51104-87-1)

Guidance literature:

reagiert analog mit Kaliumhypobromit;

Reference yield: 25.0%

(η(5)-C5H5)Mo(1,2-bis(diphenylphosphino)ethane)(CO)Cl + 1,4-dichlorodibutyne (51104-87-1) → (η(5)-C5H5)Mo(1,2-bis(diphenylphosphino)ethane)(CO)(C.tplbond.CC.tplbond.CH) (239438-00-7)

Guidance literature:

With NHEt₂; copper(l) iodide; In tetrahydrofuran; byproducts: Et2NH2Cl; Ar-atmosphere; treatment of Mo-complex with NHEt2, CuI, KOH and alkyne at -80°C, slow warming to room temp.; solvent removal (vac.), extn. into hexane;

DOI:10.1016/S0022-328X(98)01199-1

upstream raw materials:

Butadiyne

Downstream raw materials:

trans-7-Phenylhepten-6-diin-(1,3)

2,7-bis-(2,2-dimethyl-3-phenoxy-cyclopropyl)-octa-3,5-diyne-2,7-diol

1-(4-methoxyphenyl)-2,4-pentadiyne

(C₆H₅)2SbCCCCSb(C₆H₅)2