4,7-Dichloro-1,10-phenanthroline

Base Information

• Chemical Name: 4,7-Dichloro-1,10-phenanthroline
• CAS No.: 5394-23-0
• Molecular Formula: C12H6Cl2N2
• Molecular Weight: 249.099
• Hs Code.: 2933990090
• European Community (EC) Number: 693-961-6
• NSC Number: 626
• DSSTox Substance ID: DTXSID00202229
• Nikkaji Number: J876.732G
• Wikidata: Q83075504
• Mol file: 5394-23-0.mol

Synonyms:4,7-Dichloro-1,10-phenanthroline;5394-23-0;1,10-Phenanthroline,4,7-dichloro;NSC626;1,10-Phenanthroline, 4,7-dichloro-;NSC 626;MFCD00233882;4,7-dichlorophenanthroline;SCHEMBL440421;AMY5047;DTXSID00202229;NSC-626;BCP10047;AKOS016845061;CS-W004582;DS-7192;SY037143;4,7-Dichloro-1,10-phenanthroline, 97%;4,7-Dichloro-1,10-phenanthroline Hydrate;D4421;D5690;FT-0711697;EN300-154354;Y10770;A850831;Z1723943167

Chemical Property of 4,7-Dichloro-1,10-phenanthroline

Chemical Property:

• Vapor Pressure: 4.07E-06mmHg at 25°C
• Melting Point: 243-247 °C
• Boiling Point: 395.9°Cat760mmHg
• PKA: 3.29±0.10(Predicted)
• Flash Point: 225.5°C
• PSA: 25.78000
• Density: 1.482g/cm³
• LogP: 4.08980
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 247.9908036
• Heavy Atom Count: 16
• Complexity: 235

Purity/Quality:

98% ^*data from raw suppliers

4,7-Dichloro-1,10-phenanthroline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CN=C2C3=NC=CC(=C31)Cl)Cl

Technology Process of 4,7-Dichloro-1,10-phenanthroline

There total 9 articles about 4,7-Dichloro-1,10-phenanthroline 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: 93.0%

1,4,7,10-tetrahydro-1,10-phenanthroline-4,7-dione (87330-27-6) → 4,7-dichloro-1,10-phenanthroline (5394-23-0)

Guidance literature:

With trichlorophosphate; for 6h; Heating;

Reference yield:

1,2-bis-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidenemethyl)amino]benzene (503863-91-0) → 4,7-dichloro-1,10-phenanthroline (5394-23-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 86 percent / diphenyl ether / 0.5 h / Heating

2: POCl₃ / 2 h / Heating

With trichlorophosphate; In diphenylether;

DOI:10.1021/jo070807a

Reference yield:

1,2-diamino-benzene (95-54-5) → 4,7-dichloro-1,10-phenanthroline (5394-23-0)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 2 h / Heating

1.2: 77 percent / Heating

2.1: 86 percent / diphenyl ether / 0.5 h / Heating

3.1: POCl₃ / 2 h / Heating

With trichlorophosphate; In diphenylether;

DOI:10.1021/jo070807a

upstream raw materials:

1,4,7,10-tetrahydro-1,10-phenanthroline-4,7-dione

1,10-phenanthroline-4,7-diol

1,2-diamino-benzene

1,2-bis-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidenemethyl)amino]benzene

Downstream raw materials:

4,7-dimethoxy-1,10-phenanthroline

4,7-diphenoxy-1,10-phenanthroline

4,7-bis-(4-methylphenoxy)-1,10-phenanthroline

4,7-Bis<4-(1,1-dimethylethyl)-phenoxy>-1,10-phenanthroline

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