Propyne, 3-chloro-1-iodo-

Base Information

• Chemical Name: Propyne, 3-chloro-1-iodo-
• CAS No.: 109-71-7
• Molecular Formula: C₃H₂ClI
• Molecular Weight: 200.406
• Hs Code.: 2903799090
• DSSTox Substance ID: DTXSID80148792
• Nikkaji Number: J51.147A
• Wikidata: Q83014412
• Mol file: 109-71-7.mol

Synonyms:3-chloro-1-iodoprop-1-yne;Propyne, 3-chloro-1-iodo-;109-71-7;USAF DO-18;3-Chloro-1-iodopropyne;BRN 1734897;4-01-00-00966 (Beilstein Handbook Reference);3-Chloro-1-Idopropyne;C3H2ClI;C3-H2-Cl-I;SCHEMBL9364357;1-Propyne, 3-chloro-1-iodo-;DTXSID80148792;LS-125777;EN300-7570227

Chemical Property of Propyne, 3-chloro-1-iodo-

Chemical Property:

• Vapor Pressure: 1.01mmHg at 25°C
• Boiling Point: 184.2°Cat760mmHg
• Flash Point: 65.2°C
• PSA: 0.00000
• Density: 2.188g/cm³
• LogP: 1.62110
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 199.88898
• Heavy Atom Count: 5
• Complexity: 65.5

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C#CI)Cl

Technology Process of Propyne, 3-chloro-1-iodo-

There total 1 articles about Propyne, 3-chloro-1-iodo- 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:

2-propynyl chloride (624-65-7) → 3-chloro-1-iodo-1-propyne (109-71-7)

Guidance literature:

With alkali hypoiodite; at 5 ℃;

DOI:10.1021/ja01606a058

Reference yield: 77.0%

3-chloro-1-iodo-1-propyne (109-71-7) + bis(cyclohexanyl)borane (1568-65-6) → 1,1-dicyclohexyl-1-propene

Guidance literature:

With sodium methylate; In tetrahydrofuran; methanol; Mechanism; other dialkylboranes; other reagents;

DOI:10.1246/bcsj.65.3294

Reference yield:

3-chloro-1-iodo-1-propyne (109-71-7) + bis(cyclohexanyl)borane (1568-65-6) → 3,3-dicyclohexyl-1-propene

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; acetic acid; Yield given. Multistep reaction;

DOI:10.1246/bcsj.65.3294

upstream raw materials:

2-propynyl chloride

Downstream raw materials:

3-cyclohexyl-1-butene

Refernces

• 1、 Barluenga, Jose,Gonzalez, Jose M.,Rodriguez, Miguel A.,Campos, Pedro J.,Asensio, Gregorio. "An Improved Method for the Synthesis of 1-Iodoalkynes". . p. 661 - 662. Retrieved 1987.