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Imidazoles & Benzimidazoles

Theophylline, 99%

PurissAvailable on request

Buy Theophylline, 99% (CAS 58-55-9) from Zemixal. Lab and bulk packs, batch COA, fast global delivery. Purity 99%. Packs from 100 g.

Pack sizes
Theophylline, 99% chemical structure
CAS number58-55-9
FormulaC7H8N4O2
Molar mass180.16 g/mol
Physical formCrystalline
HS code29395900
Purity99%
InChIKeyZFXYFBGIUFBOJW-UHFFFAOYSA-N
IUPAC name1,3-dimethyl-7H-purine-2,6-dione

About Theophylline, 99%

Theophylline, 99% is part of the Zemixal imidazoles & Benzimidazoles range. Key data (Puriss): CAS 58-55-9, formula C7H8N4O2 and molar mass 180.16 g/mol. Expect white powder to crystals or crystalline powder.

Common uses in the lab and plant

  • Molecular biology workflows
  • Organic synthesis

Safe handling

Literature values: melting point 271 - 273 °C. No GHS classification is recorded for this item, but handle it with normal laboratory care.

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

Typical uses

  • Molecular biology workflows
  • Organic synthesis

Applications

Specifications and identifiers

Specifications of Theophylline, 99%
Product nameTheophylline, 99%
Catalogue numberZX-011273
CAS number58-55-9
IUPAC name1,3-dimethyl-7H-purine-2,6-dione
Molecular formulaC7H8N4O2
Molar mass180.16 g/mol
Exact mass180.0647
GradePuriss
Purity / assay99%
Physical formCrystalline
AppearanceWhite powder to crystals or crystalline powder
Melting point271 - 273 °C
H-bond donors / acceptors1 / 3
Topological polar surface area69.3 Ų
HS code29395900
InChIKeyZFXYFBGIUFBOJW-UHFFFAOYSA-N
SMILESCN1C2=C(C(=O)N(C1=O)C)NC=N2
PubChem CID2153
Synonyms1,3-Dimethylxanthine, 2,6-Dihydroxy-1,3-dimethylpurine, 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, Elixophyllin, Theophyllin, Nuelin, Theophylline anhydrous, Elixophylline, Lanophyllin, Pseudotheophylline, Solosin, Theocin

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

Safety and GHS hazards

GHS08 Health hazard
Health hazard

Signal word Danger

Precautionary statements P203, P280, P318, 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 Theophylline, 99%
100 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 Theophylline, 99%

Which CAS number identifies Theophylline, 99%?
Theophylline, 99% is registered under CAS 58-55-9. You may also see it listed as 1,3-Dimethylxanthine, 2,6-Dihydroxy-1,3-dimethylpurine, 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione. Our catalogue number for this item is ZX-011273.
What are the formula and molar mass of Theophylline, 99%?
For Theophylline, 99%, its formula is C7H8N4O2 and its molar mass is 180.16 g/mol. The systematic (IUPAC) name is 1,3-dimethyl-7H-purine-2,6-dione. InChIKey ZFXYFBGIUFBOJW-UHFFFAOYSA-N lets you match it in any structure database.
What grade and pack sizes are available for Theophylline, 99%?
This listing is Puriss grade with 99% purity. Standard packs are 100 g, 1 kg. Larger quantities and custom packing can be quoted on request.
Which documents come with Theophylline, 99%?
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 Theophylline, 99% to my country?
Yes. Because Theophylline, 99% 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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