3-Iodo-2-propynol

Base Information

• Chemical Name: 3-Iodo-2-propynol
• CAS No.: 1725-82-2
• Molecular Formula: C3H3 I O
• Molecular Weight: 181.961
• Hs Code.: 2905590090
• European Community (EC) Number: 217-035-4
• UNII: A477M4X26N
• DSSTox Substance ID: DTXSID4061917
• Nikkaji Number: J203.124H
• Wikidata: Q27273613
• RXCUI: 2465830
• Mol file: 1725-82-2.mol

Synonyms:3-Iodo-2-propynol;3-iodoprop-2-yn-1-ol;1725-82-2;2-Propyn-1-ol, 3-iodo-;3-iodopropargyl alcohol;3-iodo-2-propyn-1-ol;EINECS 217-035-4;UNII-A477M4X26N;A477M4X26N;C3H3IO;3-hydroxy-1-iodopropyne;3-iodo-prop-2-yn-1-ol;SCHEMBL244728;DTXSID4061917;AKOS005216188;AT14264;3-IODO-2-PROPYN-1-YL ALCOHOL;CS-0375727;EN300-7570932;Q27273613

Chemical Property of 3-Iodo-2-propynol

Chemical Property:

• Vapor Pressure: 0.0274mmHg at 25°C
• Melting Point: 40-45 °C
• Boiling Point: 218°Cat760mmHg
• PKA: 12.45±0.10(Predicted)
• Flash Point: 85.6°C
• PSA: 20.23000
• Density: 2.342g/cm³
• LogP: 0.37460
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 181.92286
• Heavy Atom Count: 5
• Complexity: 65.5

Purity/Quality:

97% ^*data from raw suppliers

Iodopropargylalcohol 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C#CI)O

Technology Process of 3-Iodo-2-propynol

There total 3 articles about 3-Iodo-2-propynol 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: 91.0%

propargyl alcohol (107-19-7) → 3-iodo-2-propyn-1-ol (1725-82-2)

Guidance literature:

propargyl alcohol; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

With iodine; In tetrahydrofuran; hexane; at -78 - 20 ℃;

With hydrogenchloride; In tetrahydrofuran; hexane; water;

Reference yield:

→ 3-iodo-2-propyn-1-ol (1725-82-2)

Guidance literature:

With potassium iodide;

Reference yield:

→ 3-iodo-2-propyn-1-ol (1725-82-2)

Guidance literature:

Propargylalkohol, I2/ H2O-KI-Lsg. (Vermischt woehrend 2h bei -2-0grad in Ar-Atm., 1h bei 20grad);

upstream raw materials:

propargyl alcohol

Downstream raw materials:

Hexa-2,4-diyne-1,6-diol

iodopropargyl 4-methylbenzenesulfonate

3-iodopropargyl 4-nitrobenzenesulfonate

2,3,3-triiodoallyl alcohol