Theobromine CAS:83-67-0

  • Product Name:Theobromine
  • CAS:83-67-0
  • Molecular formula:C7H8N4O2
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Theobromine CAS:83-67-0

Theobromine CAS:83-67-0 Basic information

Product Name: Theobromine
Synonyms: 3,7-dihydro-3,7-dimethyl-1h-purine-6-dione;3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione;3,7-dimethyl-xanthin;6-dione,3,7-dihydro-3,7-dimethyl-1H-Purine-2;Diurobromine;Santheose;SC 15090;sc15090
CAS: 83-67-0
MF: C7H8N4O2
MW: 180.16
EINECS: 201-494-2
Product Categories: standardized herbal extract;Heterocycles, Metabolites & Impurities, Pharmaceuticals, Intermediates & Fine Chemicals;THESODATE;Isolabel;Inhibitors;Heterocyclic Compounds;Alkaloids;Alkaloids (Others);Alkaloid;Building Blocks;Chemical Synthesis;Heterocyclic
Mol File: 83-67-0.mol

Theobromine CAS:83-67-0 Chemical Properties

density: 1.50
Melting point: 345-350 °C
Boiling point: 312.97°C (rough estimate)
form: solid
storage temp.: Refrigerator
Water Solubility: slightly soluble, <0.1 g/100 mL at 18 ºC
color: Sensors, photoconductors, copying materials, rubber, body fiuid testing, determination of calcium, magnesium, tin, method for measuring urea nitrogen, liposomal construct for diagnostic use, cardiovascular disease, antibacterial agent
pka: 7.89(at 18℃)
BRN: 16464
InChIKey: YAPQBXQYLJRXSA-UHFFFAOYSA-N
Fp: 290-295°C
solubility: H2O: slightly soluble
NIST Chemistry Reference: 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-(83-67-0)
Merck: 14,9282
FEMA: 3591 | THEOBROMINE
optical activity: [α]20/D +32°, c = 5 in chloroform
Hydrolytic Sensitivity: 7: reacts slowly with moisture/water
RTECS: OL4225000
Solubility Product Constant (Ksp): pKsp: 11.25
Major Application: Sensors, photoconductors, copying materials, rubber, body fiuid testing, determination of calcium, magnesium, tin, method for measuring urea nitrogen, liposomal construct for diagnostic use, cardiovascular disease, antibacterial agent
Decomposition: 150°C
Biological Applications: Diagnosis of acute myeloid leukemia (AML); detecting neuron-specific nuclear protein NeuN; drug screening
resistivity: 42.0 μΩ-cm, 20°C
Sublimation: 290-295 ºC
CAS DataBase Reference: 83-67-0(CAS DataBase Reference)
EPA Substance Registry System: Theobromine (83-67-0)

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