Theobromine

Name: Theobromine
Brand: Vaqora Chemicals
SKU: VQ-007791

About Theobromine

Listed under CAS 83-67-0, Theobromine is a high-purity reference standard of Theobromine available from Vaqora Chemicals. Formula C7H8N4O2, molecular weight 180.16 g/mol. Systematically, it is named 3,7-dimethylpurine-2,6-dione. Common synonyms include 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione and 3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione.

The product is provided as a solid. Keep the vial tightly closed, protected from light and humidity, at the temperature stated on the Certificate of Analysis. It carries the GHS signal word “Warning” with 3 hazard statements. Review the Safety Data Sheet before use.

As a reference sample of Theobromine, it is used for identification, assay and impurity-profiling work during analytical method development, validation (AMV) and routine QC. It is used across pharmaceutical manufacturing and academic and industrial research.

Vaqora Chemicals supplies Theobromine in 10 mg, 25 mg, 50 mg and 100 mg packs, each shipped with a Certificate of Analysis (COA), and exports worldwide. Stock is available for quick dispatch.

Typical applications

Identification & assay
Method development & validation
QC reference material

Industries

Related to Theobromine

View every impurity, metabolite and intermediate we list for Theobromine.

Theobromine impurities

Specifications & identifiers

Chemical identifiers
Product name	Theobromine
Catalogue No.	VQ-007791
CAS Number	83-67-0
IUPAC name	3,7-dimethylpurine-2,6-dione
Molecular formula	C₇H₈N₄O₂
Molecular weight	180.16 g/mol
Exact mass	180.0647
Grade	Reference Standard
HSN code	38229090
InChIKey	YAPQBXQYLJRXSA-UHFFFAOYSA-N
SMILES	CN1C=NC2=C1C(=O)NC(=O)N2C
PubChem CID	5429

Physical properties
Physical form	Solid
LogP (XLogP3)	-0.8
H-bond donors / acceptors	1 / 3
TPSA	67.2 Å²
Synonyms	3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione, 3,7-Dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione, 3,7-Dimethylxanthine, Diurobromine, Santheose, Theosalvose, Theostene, Thesal, Teobromin, Xantheose, 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-

Safety & hazard information (GHS)

Harmful / irritant

Health hazard

Signal word: Warning

Hazard statements

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 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 83-67-0

IP/BP/USP

Theobromine

CAS: 83-67-0
Formula: C₇H₈N₄O₂
MW: 180.16 g/mol

VQ-004255

Synthesis

Theobromine, 98%

CAS: 83-67-0
Formula: C₇H₈N₄O₂
MW: 180.16 g/mol

VQ-002979

Frequently asked questions

What is the CAS number of Theobromine?

The CAS Registry Number of Theobromine is 83-67-0. It is also known as 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione, 3,7-Dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 3,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione.

What is the molecular formula and molecular weight of Theobromine?

Theobromine has the molecular formula C7H8N4O2 and a molecular weight of 180.16 g/mol. Its IUPAC name is 3,7-dimethylpurine-2,6-dione.

What is Theobromine used for?

Theobromine is supplied as a characterised reference material related to Theobromine. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of Theobromine can I order?

We supply Theobromine in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg, 250 mg, 500 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Theobromine?

Yes. Every lot of Theobromine 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 Theobromine be shipped internationally?

Yes. Theobromine 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.