Theophylline, 99%

Name: Theophylline, 99%
Brand: Vaqora Chemicals
SKU: VQ-012215

About Theophylline, 99%

Theophylline is an imidazole derivative in Puriss grade carrying the CAS registry number 58-55-9 at a purity of 99%. The compound has the formula C7H8N4O2, corresponding to a molecular weight of 180.16 g/mol. Its systematic (IUPAC) name is 1,3-dimethyl-7H-purine-2,6-dione. It is also known as 1,3-Dimethylxanthine or 2,6-Dihydroxy-1,3-dimethylpurine.

The material typically appears as a white powder to crystals or crystalline powder. Key physical data: a melting point of 271 - 273 °C. Keep the container tightly sealed and store it in a cool, dry area. It carries the GHS signal word “Danger” with 0 hazard statements. Review the Safety Data Sheet before use.

It is commonly used for molecular biology workflows and organic synthesis. Buyers come mainly from pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 100 g and 1 kg, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

Molecular biology workflows
Organic synthesis

Industries

Specifications & identifiers

Chemical identifiers
Product name	Theophylline, 99%
Catalogue No.	VQ-012215
CAS Number	58-55-9
IUPAC name	1,3-dimethyl-7H-purine-2,6-dione
Molecular formula	C₇H₈N₄O₂
Molecular weight	180.16 g/mol
Exact mass	180.0647
Grade	Puriss
Purity / assay	99%
HSN code	29395900
InChIKey	ZFXYFBGIUFBOJW-UHFFFAOYSA-N
SMILES	CN1C2=C(C(=O)N(C1=O)C)NC=N2
PubChem CID	2153

Physical properties
Physical form	Crystalline
Appearance	White powder to crystals or crystalline powder
Melting point	271 - 273 °C
H-bond donors / acceptors	1 / 3
TPSA	69.3 Å²
Synonyms	1,3-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

Safety & hazard information (GHS)

Health hazard

Signal word: Danger

Precautionary statements: P203, P280, P318, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Other grades of CAS 58-55-9

IP/BP/USP

Theophylline

CAS: 58-55-9
Formula: C₇H₈N₄O₂
MW: 180.16 g/mol

VQ-004183

Reference Standard

Theophylline

CAS: 58-55-9
Formula: C₇H₈N₄O₂
MW: 180.16 g/mol

In stock

Frequently asked questions

What is the CAS number of Theophylline, 99%?

The CAS Registry Number of Theophylline, 99% is 58-55-9. It is also known as 1,3-Dimethylxanthine, 2,6-Dihydroxy-1,3-dimethylpurine, 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione.

What is the molecular formula and molecular weight of Theophylline, 99%?

Theophylline, 99% has the molecular formula C7H8N4O2 and a molecular weight of 180.16 g/mol. Its IUPAC name is 1,3-dimethyl-7H-purine-2,6-dione.

Which grade and pack sizes of Theophylline, 99% can I order?

We supply Theophylline, 99% in Puriss (99%) grade, in 100 g, 1 kg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Theophylline, 99%?

Yes. Every lot of Theophylline, 99% is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Theophylline, 99% be shipped internationally?

Yes. Theophylline, 99% is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.