Caffeine, 8-bromo-

Base Information

Chemical Name:Caffeine, 8-bromo-
CAS No.:10381-82-5
Molecular Formula:C8H9 Br N4 O2
Molecular Weight:273.089
Hs Code.:2933990090
European Community (EC) Number:667-719-5
NSC Number:11255
DSSTox Substance ID:DTXSID10146069
Nikkaji Number:J39.666D
Wikidata:Q83010789
ChEMBL ID:CHEMBL91786
Mol file:10381-82-5.mol

Synonyms:8-bromocaffeine;8-caffeine bromide;xanthobin;xanthobine

Suppliers and Price of Caffeine, 8-bromo-

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-Bromo-1,3,7-trimethylxanthine
100mg
$ 85.00

TRC
8-Bromo-1,3,7-trimethylxanthine
500mg
$ 275.00

Sigma-Aldrich
8-Bromocaffeine 98%
5g
$ 126.00

Sigma-Aldrich
8-Bromocaffeine 98%
1g
$ 37.50

Crysdot
8-Bromo-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione 97%
5g
$ 569.00

Crysdot
8-Bromo-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione 97%
10g
$ 792.00

Chemenu
8-Bromo-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione 97%
10g
$ 748.00

Chemenu
8-Bromo-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione 97%
5g
$ 538.00

Total 8 raw suppliers

Chemical Property of Caffeine, 8-bromo-

Chemical Property:

Vapor Pressure:6.04E-08mmHg at 25°C
Melting Point:208-210°C
Boiling Point:440.1°Cat760mmHg
Flash Point:220°C
PSA：61.82000
Density:1.87g/cm³
LogP:-0.26680
XLogP3:1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:271.99089
Heavy Atom Count:15
Complexity:324

Purity/Quality:

98%,99%, ^*data from raw suppliers

8-Bromo-1,3,7-trimethylxanthine ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C
Uses 8-Bromo-1,3,7-trimethylxanthine is an intermediate in the synthesis of 1,3,7-Trimethyluric Acid (T798000) is a caffeine derivative, and a methyl derivative of uric acid. Detected as a urine marker of caffeine consumption.

Technology Process of Caffeine, 8-bromo-

There total 11 articles about Caffeine, 8-bromo- 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%