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Bioactive Small Molecules

Theobromine, 98%

SynthesisAvailable on request

Buy Theobromine, 98% (CAS 83-67-0) from Zemixal: C7H8N4O2, COA and SDS with every lot, worldwide shipping. Packs from 25 g.

Pack sizes
Theobromine, 98% chemical structure
CAS number83-67-0
FormulaC7H8N4O2
Molar mass180.16 g/mol
Physical formCrystalline
HS code29399900
Purity98%
InChIKeyYAPQBXQYLJRXSA-UHFFFAOYSA-N
IUPAC name3,7-dimethylpurine-2,6-dione

About Theobromine, 98%

Researchers and plant chemists source Theobromine, 98% from Zemixal for routine and specialised work. Key data (Synthesis): CAS 83-67-0, formula C7H8N4O2 and molar mass 180.16 g/mol. Expect white powder or crystals.

Typical applications

  • Cell signalling research
  • Pharmacological screening
  • Target validation
  • Diagnostic assays

Safe handling

Literature values: melting point 345-350 °C. It carries the GHS signal word Warning (H302, H319 and H351), so wear gloves and eye protection and work with good ventilation.

Standard pack sizes are 25 g, 100 g, 500 g and 1 kg, and custom quantities are quoted on request. Every shipment includes a batch certificate of analysis and a 16-section SDS. Send an enquiry through the quote panel and you get a formal offer with Incoterms and delivery time.

Typical uses

  • Cell signalling research
  • Pharmacological screening
  • Target validation
  • Diagnostic assays

Applications

Diagnostics, Life Science and BiotechResearch Labs and Universities

Specifications and identifiers

Specifications of Theobromine, 98%
Product nameTheobromine, 98%
Catalogue numberZX-002979
CAS number83-67-0
IUPAC name3,7-dimethylpurine-2,6-dione
Molecular formulaC7H8N4O2
Molar mass180.16 g/mol
Exact mass180.0647
GradeSynthesis
Purity / assay98%
Physical formCrystalline
AppearanceWhite powder or crystals
Melting point345-350 °C
XLogP3-0.8
H-bond donors / acceptors1 / 3
Topological polar surface area67.2 Ų
HS code29399900
InChIKeyYAPQBXQYLJRXSA-UHFFFAOYSA-N
SMILESCN1C=NC2=C1C(=O)NC(=O)N2C
PubChem CID5429
Synonyms2,6-Dihydroxy-3,7-dimethylpurine, 3,7-Dimethylxanthine, 3,7-Dimethylxanthine, Diurobromine, Santheose, 3,7-Dimethylxanthine, Theosalvose, Teobromin, Theostene, 3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione, Thesal, Xantheose, 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

GHS07 Irritant or harmful
Irritant or harmful
GHS08 Health hazard
Health hazard

Signal word Warning

  • H302Harmful if swallowed
  • H319Causes serious eye irritation
  • H351Suspected of causing cancer

Precautionary statements P203, P264, P264 + P265, P270, P280, P301 + P317, P305 + P351 + P338, P318, P330, P337 + P317, P405, P501

Classification summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.

Pack sizes

Pack sizes of Theobromine, 98%
25 gQuoted on request
100 gQuoted on request
500 gQuoted on request
1 kgQuoted on request

Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.

Questions about Theobromine, 98%

Which CAS number identifies Theobromine, 98%?
Theobromine, 98% is registered under CAS 83-67-0. You may also see it listed as 2,6-Dihydroxy-3,7-dimethylpurine, 3,7-Dimethylxanthine, 3,7-Dimethylxanthine, Diurobromine, Santheose. Our catalogue number for this item is ZX-002979.
What are the formula and molar mass of Theobromine, 98%?
For Theobromine, 98%, its formula is C7H8N4O2 and its molar mass is 180.16 g/mol. The systematic (IUPAC) name is 3,7-dimethylpurine-2,6-dione. InChIKey YAPQBXQYLJRXSA-UHFFFAOYSA-N lets you match it in any structure database.
What grade and pack sizes are available for Theobromine, 98%?
This listing is Synthesis grade with 98% purity. Standard packs are 25 g, 100 g, 500 g, 1 kg. Larger quantities and custom packing can be quoted on request.
Which documents come with Theobromine, 98%?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship Theobromine, 98% to my country?
Yes. Because Theobromine, 98% is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.

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