2,4-Dichloro-5-iodopyrimidine

Base Information

• Chemical Name: 2,4-Dichloro-5-iodopyrimidine
• CAS No.: 13544-44-0
• Molecular Formula: C4HCl2IN2
• Molecular Weight: 274.876
• Hs Code.: 29335990
• European Community (EC) Number: 621-974-9
• NSC Number: 97872
• DSSTox Substance ID: DTXSID90294754
• Nikkaji Number: J2.834.916E
• Wikidata: Q72466570
• Mol file: 13544-44-0.mol

Synonyms:2,4-Dichloro-5-iodopyrimidine;13544-44-0;2, 4-dichloro-5-iodopyrimidine;5-iodo-2,4-dichloropyrimidine;MFCD01898087;2,4-Dichloro-5-iodo-pyrimidine;PYRIMIDINE, 2,4-DICHLORO-5-IODO-;NSC97872;NCIOpen2_006533;SCHEMBL117265;5-iodo-2, 4-dichloropyrimidine;DTXSID90294754;BCP22998;BBL100005;NSC 97872;NSC-97872;STL510820;AKOS002665245;2,4-Dichloro-5-iodopyrimidine, 95%;AB10498;AC-1289;CS-W002862;GS-5894;SY009554;AM20080261;D4122;FT-0602319;EN300-252921;W-201138;Z1269214376

Chemical Property of 2,4-Dichloro-5-iodopyrimidine

Chemical Property:

• Appearance/Colour: off-white solid
• Vapor Pressure: 0.00111mmHg at 25°C
• Melting Point: 68.0 to 72.0 °C
• Refractive Index: 1.662
• Boiling Point: 310.2 °C at 760 mmHg
• PKA: -4.19±0.29(Predicted)
• Flash Point: 141.4 °C
• PSA: 25.78000
• Density: 2.255 g/cm³
• LogP: 2.38800
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: soluble in Methanol
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 273.85615
• Heavy Atom Count: 9
• Complexity: 103

Purity/Quality:

99.9% ^*data from raw suppliers

2,4-Dichloro-5-iodopyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C(=NC(=N1)Cl)Cl)I
• Recent ClinicalTrials: Study of Novel Antiretrovirals in Participants With HIV-1

Technology Process of 2,4-Dichloro-5-iodopyrimidine

There total 3 articles about 2,4-Dichloro-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: 92.0%

5-iodouracil (696-07-1) → 2,4-dichloro-5-iodopyrimidine (13544-44-0)

Guidance literature:

With N,N-dimethyl-aniline; trichlorophosphate; at 90 ℃; for 1.5h;

Reference yield: 80.0%

5-iodo-2,4-pyrimidine-diol (696-07-1) → 2,4-dichloro-5-iodopyrimidine (13544-44-0)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; trichlorophosphate; Reflux;

Reference yield:

→ 2,4-dichloro-5-iodopyrimidine (13544-44-0)

Guidance literature:

5-Ioduracil, POCl3, Dimethylanilin (Erh.);

upstream raw materials:

5-iodouracil

5-iodo-2,4-pyrimidine-diol

Downstream raw materials:

2,4-Dichlor-5-(3-thienyl)pyrimidin

2,4-dichloro-5-thiophen-2-yl-pyrimidine

2,4-dimethoxy-5-iodopyrimidine

C₁₁H₇ClF₂IN₃