4-Chloro-5-iodopyrimidine

Base Information

• Chemical Name: 4-Chloro-5-iodopyrimidine
• CAS No.: 63558-65-6
• Molecular Formula: C4H2ClIN2
• Molecular Weight: 240.431
• Hs Code.: 2933599090
• European Community (EC) Number: 854-712-9
• DSSTox Substance ID: DTXSID70459485
• Nikkaji Number: J1.819.607G
• Wikidata: Q72452624
• Mol file: 63558-65-6.mol

Synonyms:4-Chloro-5-iodopyrimidine;63558-65-6;4-Chloro-5-iodo-pyrimidine;Pyrimidine, 4-chloro-5-iodo-;MFCD08276157;SCHEMBL359600;AMY5242;DTXSID70459485;BIWOQXBVRYUITN-UHFFFAOYSA-N;BCP32070;AKOS012298915;CS-W018727;PB23589;4-chloro-5-iodo-pyrimidine, AldrichCPR;AC-25830;AS-30570;SY021511;A8749;FT-0648664;EN300-83173;W-203359;Z1079458538

Chemical Property of 4-Chloro-5-iodopyrimidine

Chemical Property:

• Melting Point: 63-65 °C
• Boiling Point: 275.014 °C at 760 mmHg
• PKA: -1.35±0.16(Predicted)
• Flash Point: 120.125 °C
• PSA: 25.78000
• Density: 2.188 g/cm³
• LogP: 1.73460
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 239.89512
• Heavy Atom Count: 8
• Complexity: 80.4

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-5-iodopyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=NC=N1)Cl)I

Technology Process of 4-Chloro-5-iodopyrimidine

There total 3 articles about 4-Chloro-5-iodopyrimidine 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: 88.0%

5-iodo-4-(3H)-pyrimidinone (4349-07-9) → 4-chloro-5-iodopyrimidine (63558-65-6)

Guidance literature:

With trichlorophosphate;

DOI:10.1016/j.bmcl.2006.01.111

Reference yield:

4-hydroxy-5-iodopyrimidine (4349-07-9) → 4-chloro-5-iodopyrimidine (63558-65-6)

Guidance literature:

4-hydroxy-5-iodopyrimidine; With trichlorophosphate; at 135 ℃; for 3h; Heating / reflux;

With sodium hydroxide; In water; at 0 ℃;

Reference yield:

→ 4-chloro-5-iodopyrimidine (63558-65-6)

Guidance literature:

5-Jodpyrimidin-4-on, Phosphorylchlorid, Dimethylanilin;

upstream raw materials:

5-iodo-4-(3H)-pyrimidinone

4-hydroxy-5-iodopyrimidine

Downstream raw materials:

5-iodo-4-methoxypyrimidine