Theobromine

Name: Theobromine
Brand: Vaqora Chemicals
SKU: VQ-004255

About Theobromine

Theobromine is an active pharmaceutical ingredient in IP/BP/USP grade carrying the CAS registry number 83-67-0. Its molecular formula is C7H8N4O2 and its molecular weight is 180.16 g/mol. Systematically, it is named 3,7-dimethylpurine-2,6-dione. Alternative names: 3,7-Dimethylxanthine and Diurobromine.

It is supplied as a powder. Keep the container tightly sealed and store it in a cool, dry area. It carries the GHS signal word “Warning” with 3 hazard statements. Review the Safety Data Sheet before use.

As an active pharmaceutical ingredient within our vitamins, excipients and other APIs range, it is offered in IP/BP/USP grade for formulation development, generic drug programmes and commercial manufacturing. Our customers for this product work in pharmaceutical manufacturing.

We offer Theobromine in 1 kg, 5 kg and 25 kg packs with a batch-specific COA, and ship to customers worldwide.

Typical applications

Pharmaceutical formulation
Generic drug development
Nutraceutical & excipient use
Cosmetics & personal care

Industries

Related to Theobromine

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

Theobromine impurities

Grade guides

Specifications & identifiers

Chemical identifiers
Product name	Theobromine
Catalogue No.	VQ-004255
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	IP/BP/USP
HSN code	2933
InChIKey	YAPQBXQYLJRXSA-UHFFFAOYSA-N
SMILES	CN1C=NC2=C1C(=O)NC(=O)N2C
PubChem CID	5429

Physical properties
Physical form	Powder
LogP (XLogP3)	-0.8
H-bond donors / acceptors	1 / 3
TPSA	67.2 Å²
Synonyms	3,7-Dimethylxanthine, Diurobromine, Theosalvose, Santheose, 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-, 3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

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

Reference Standard

Theobromine

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

In stock

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-Dimethylxanthine, Diurobromine, Theosalvose.

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 IP/BP/USP grade, in 1 kg, 5 kg, 25 kg 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.