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Theobromine, 99%

Product Code. 10175213 Shop All Thermo Scientific Products
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Product Code. 10175213 Supplier Thermo Scientific Acros Supplier No. 258820010
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Description

Theobromine, CAS # 83-67-0, is a methylxanthine alkaloid that is present in large quantities in cocoa and is a derivative of caffein. | CAS: 83-67-0 | C7H8N4O2 | 180.17 g/mol

This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

General description
• Theobromine is a methylxanthine alkaloid that is a derivative of caffeine

Applications
• Theobromine is a phosphodiesterase inhibitor, weak adenosine receptor antagonist, and smooth muscle relaxant
• As a catabolic product of caffeine, it has antioxidant and prooxidant properties
• It can be used as a standard for quantification of theobromine

TRUSTED_SUSTAINABILITY

Chemical Identifiers

CAS 83-67-0
Molecular Formula C7H8N4O2
Molecular Weight (g/mol) 180.17
MDL Number MFCD00022830
InChI Key YAPQBXQYLJRXSA-UHFFFAOYSA-N
Synonym theobromine, 3,7-dimethylxanthine, diurobromine, teobromin, theosalvose, theostene, santheose, thesodate, thesal, theobromin
PubChem CID 5429
ChEBI CHEBI:28946
IUPAC Name 3,7-dimethylpurine-2,6-dione
SMILES CN1C=NC2=C1C(=O)NC(=O)N2C

Spécification

Melting Point 290.0°C to 295.0°C
Color White
Loss on Drying 0.5% max. (1 g, 105°C)
Infrared Spectrum Authentic
Assay Percent Range 99%
Packaging Plastic bottle
Quantity 1 kg
Beilstein 26, 2336
Merck Index 15, 9433
Solubility Information Solubility in water: slightly soluble. Other solubilities: moderately soluble in ammonia, practically insoluble in benzene, ether, carbon, tetrachloride and chloroform
Sublimation Point 290.0 °C
Formula Weight 180.17
Percent Purity 99%
Physical Form Fine Powder
Chemical Name or Material Theobromine, 99%
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