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8-Chlorocaffeine

Base Information Edit
  • Chemical Name:8-Chlorocaffeine
  • CAS No.:4921-49-7
  • Molecular Formula:C8H9 Cl N4 O2
  • Molecular Weight:228.638
  • Hs Code.:2939300000
  • European Community (EC) Number:225-552-1
  • NSC Number:6277
  • UNII:297FVR09D5
  • DSSTox Substance ID:DTXSID00197722
  • Nikkaji Number:J2.223C
  • Wikidata:Q27254399
  • Mol file:4921-49-7.mol
8-Chlorocaffeine

Synonyms:8-chlorocaffeine

Suppliers and Price of 8-Chlorocaffeine
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • 8-ChloroCaffeine
  • 10g
  • $ 1355.00
  • TRC
  • 8-ChloroCaffeine
  • 1g
  • $ 175.00
  • American Custom Chemicals Corporation
  • 8-CHLORO CAFFEINE 95.00%
  • 5MG
  • $ 498.43
  • AK Scientific
  • 8-Chlorocaffeine
  • 1g
  • $ 546.00
Total 10 raw suppliers
Chemical Property of 8-Chlorocaffeine Edit
Chemical Property:
  • Vapor Pressure:1.92E-07mmHg at 25°C 
  • Melting Point:190-192°C 
  • Boiling Point:425.4°Cat760mmHg 
  • PKA:-2?+-.0.20(Predicted) 
  • Flash Point:211.1°C 
  • PSA:61.82000 
  • Density:1.6g/cm3 
  • LogP:-0.37590 
  • Storage Temp.:Refrigerator 
  • XLogP3:0.9
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Rotatable Bond Count:0
  • Exact Mass:228.0414032
  • Heavy Atom Count:15
  • Complexity:324
Purity/Quality:

99% *data from raw suppliers

8-ChloroCaffeine *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C
  • Uses A halogenated analog of Caffeine (C080100) as potential radiosensitizing agent.
Technology Process of 8-Chlorocaffeine

There total 26 articles about 8-Chlorocaffeine 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:
Guidance literature:
With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 6h;
DOI:10.1691/ph.2007.3.6156
Guidance literature:
With disulfur dichloride; for 4h; Ambient temperature;
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