Theobromine, 98%

Name: Theobromine, 98%
Brand: Vaqora Chemicals
SKU: VQ-002979

About Theobromine, 98%

Theobromine is a bioactive small molecule in Synthesis grade carrying the CAS registry number 83-67-0, specified at 98% purity. Formula C7H8N4O2, molecular weight 180.16 g/mol. The IUPAC name is 3,7-dimethylpurine-2,6-dione. It is also known as Diurobromine or Santheose.

In its supplied form it is white powder or crystals. Reported physical data include a melting point of 345-350 °C. 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.

Typical applications include cell signalling research, pharmacological screening, target validation and diagnostic assays. Buyers come mainly from academic and industrial research and diagnostics and biotechnology.

Standard pack sizes are 25 g, 100 g, 500 g and 1 kg, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

Cell signalling research
Pharmacological screening
Target validation
Diagnostic assays

Industries

Specifications & identifiers

Chemical identifiers
Product name	Theobromine, 98%
Catalogue No.	VQ-002979
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	Synthesis
Purity / assay	98%
HSN code	29399900
InChIKey	YAPQBXQYLJRXSA-UHFFFAOYSA-N
SMILES	CN1C=NC2=C1C(=O)NC(=O)N2C
PubChem CID	5429

Physical properties
Physical form	Crystalline
Appearance	White powder or crystals
Melting point	345-350 °C
LogP (XLogP3)	-0.8
H-bond donors / acceptors	1 / 3
TPSA	67.2 Å²
Synonyms	2,6-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-

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

Reference Standard

Theobromine

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

In stock

Frequently asked questions

What is the CAS number of Theobromine, 98%?

The CAS Registry Number of Theobromine, 98% is 83-67-0. It is also known as 2,6-Dihydroxy-3,7-dimethylpurine, 3,7-Dimethylxanthine, 3,7-Dimethylxanthine, Diurobromine, Santheose.

What is the molecular formula and molecular weight of Theobromine, 98%?

Theobromine, 98% has the molecular formula C7H8N4O2 and a molecular weight of 180.16 g/mol. Its IUPAC name is 3,7-dimethylpurine-2,6-dione.

Which grade and pack sizes of Theobromine, 98% can I order?

We supply Theobromine, 98% in Synthesis (98%) grade, in 25 g, 100 g, 500 g, 1 kg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Theobromine, 98%?

Yes. Every lot of Theobromine, 98% 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, 98% be shipped internationally?

Yes. Theobromine, 98% 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.