8-Chlorocaffeine

Base Information

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

Synonyms:8-chlorocaffeine

Suppliers and Price of 8-Chlorocaffeine

Supply Marketing:

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 13 raw suppliers

Chemical Property of 8-Chlorocaffeine

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:

Reference yield: 100.0%