4-Chloro-1,10-phenanthroline

Base Information

• Chemical Name: 4-Chloro-1,10-phenanthroline
• CAS No.: 1891-14-1
• Molecular Formula: C₁₂H₇ClN₂
• Molecular Weight: 214.654
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50600993
• Nikkaji Number: J2.147.496G
• Wikidata: Q82497354
• Mol file: 1891-14-1.mol

Synonyms:4-CHLORO-1,10-PHENANTHROLINE;1891-14-1;1,10-Phenanthroline, 4-chloro-;SCHEMBL912543;DTXSID50600993;4-Chloro-1,10-diazaphenanthrene;BAEVILLEIGDCDN-UHFFFAOYSA-N;BAA89114;SB66680;BS-53378;CS-0203319;EN300-6736730;Z1509519033

Chemical Property of 4-Chloro-1,10-phenanthroline

Chemical Property:

• Melting Point: 180-230℃
• Boiling Point: 380.5 °C at 760 mmHg
• Flash Point: 215.8 °C
• PSA: 25.78000
• Density: 1.375 g/cm³
• LogP: 3.43640
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 214.0297759
• Heavy Atom Count: 15
• Complexity: 234

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-1,10-phenanthroline 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C3=NC=CC(=C3C=C2)Cl)N=C1

Technology Process of 4-Chloro-1,10-phenanthroline

There total 8 articles about 4-Chloro-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:

1H-1,10-phenanthrolin-4-one (93533-15-4) → 4-chloro-1,10-phenanthroline (1891-14-1)

Guidance literature:

With phosphorus pentachloride; trichlorophosphate; at 130 ℃;

DOI:10.1021/ja01211a065

Reference yield:

8-amino quinoline (578-66-5) → 4-chloro-1,10-phenanthroline (1891-14-1)

Guidance literature:

Multi-step reaction with 5 steps

2: diphenyl ether

3: aqueous KOH

4: diphenyl ether

5: PCl₅; POCl₃ / 130 °C

With potassium hydroxide; diphenylether; phosphorus pentachloride; trichlorophosphate;

DOI:10.1021/ja01211a065

Reference yield:

4-oxo-1,4-dihydro-[1,10]phenanthroline-3-carboxylic acid (53946-49-9) → 4-chloro-1,10-phenanthroline (1891-14-1)

Guidance literature:

Multi-step reaction with 2 steps

1: diphenyl ether

2: PCl₅; POCl₃ / 130 °C

With diphenylether; phosphorus pentachloride; trichlorophosphate;

DOI:10.1021/ja01211a065

upstream raw materials:

1H-1,10-phenanthrolin-4-one

4-hydroxy-1,10-phenanthroline

8-amino quinoline

4-oxo-1,4-dihydro-[1,10]phenanthroline-3-carboxylic acid