Theobromine, 99%

Description

Phosphodiesterase inhibitor | CAS: 83-67-0 | C7H8N4O2 | 180.167 g/mol

Phosphodiesterase inhibitor, weak adenosine receptor antagonist, diuretic and smooth muscle relaxant.

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

Applications
Phosphodiesterase inhibitor, weak adenosine receptor antagonist, diuretic and smooth muscle relaxant.

Solubility
Soluble in hot methanol and dimethyl sulfoxide.

Notes
Store in cool, dry conditions in well sealed container. Store away from oxidizing agent. Store away from strong bases.

Specifications

Chemical Identifiers

• CAS: 83-67-0
• Molecular Formula: C7H8N4O2
• Molecular Weight (g/mol): 180.167
• 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

• Melting Point: 345°C to 350°C
• Density: 1.5
• Quantity: 100 g
• Beilstein: 16464
• Merck Index: 14,9282
• Solubility Information: Soluble in hot methanol and dimethyl sulfoxide.
• Formula Weight: 180.17
• Percent Purity: 99%
• Physical Form: Powder
• Chemical Name or Material: Theobromine

Safety and Handling

Hazard Category	H302
Hazard Statement	GHS H Statement H301 Toxic if swallowed.
Precautionary Statement	P264b-P270-P301+P312-P330-P501c
EINECSNumber	201-494-2
RTECSNumber	XH2275000
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only