4-Chloropyrimidine

Base Information

• Chemical Name: 4-Chloropyrimidine
• CAS No.: 17180-93-7
• Molecular Formula: C4H3ClN2
• Molecular Weight: 114.534
• Hs Code.: 29335990
• European Community (EC) Number: 845-733-4
• DSSTox Substance ID: DTXSID70349079
• Nikkaji Number: J270.677F
• Wikidata: Q72458867
• Mol file: 17180-93-7.mol

Synonyms:4-chloropyrimidine;17180-93-7;4-Chloro-pyrimidine;pyrimidine, 4-chloro-;6-chloropyrimidine;EC-000.2010;SCHEMBL86861;4-chloropyrimidine, AldrichCPR;DTXSID70349079;4-Chloropyrimidine (as HCl salt);BCP05785;MFCD08234613;AKOS010502630;AB43600;AC-26633;BS-12736;AM20120512;FT-0600058;EN300-53369;C90125;F1967-0821

Chemical Property of 4-Chloropyrimidine

Chemical Property:

• Melting Point: 160-170 °C (decomp)
• Boiling Point: 172.956 °C at 760 mmHg
• PKA: 0.11±0.10(Predicted)
• Flash Point: 72.837 °C
• PSA: 25.78000
• Density: 1.304 g/cm³
• LogP: 1.13000
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Solubility.: Dichloromethane (Slightly), Chloroform (Slightly)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 113.9984758
• Heavy Atom Count: 7
• Complexity: 57.7

Purity/Quality:

97% ^*data from raw suppliers

4-Chloropyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CN=C1Cl
• Uses: 4-Chloropyrimidine is used in the preparation of 1'',4''-imino tautomer.

Technology Process of 4-Chloropyrimidine

There total 6 articles about 4-Chloropyrimidine 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: 70.0%

pyrimidine-4(3H)-one (51953-18-5,542-27-8) → 4-chloropyrimidine (17180-93-7)

Guidance literature:

With trichlorophosphate; at 100 ℃; for 5h;

Reference yield: 63.0%

Pyrimidin-4-ol (51953-17-4) → 4-chloropyrimidine (17180-93-7)

Guidance literature:

With trichlorophosphate; at 25 ℃; for 4h;

Reference yield: 63.0%

→ 4-chloropyrimidine (17180-93-7)

Guidance literature:

upstream raw materials:

pyrimidine-4(3H)-one

Pyrimidin-4-ol

Downstream raw materials:

PYRIMIDINE

N-(pyrimidin-4-yl)aniline

4-phenylpyrimidine

N,N'-((1r,4r)-cyclohexane-1,4-diylbis(methylene))bis(pyrimidin-4-amine)