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Xanthine

Also known as: 2,6-Dihydroxypurine, 1H-Purine-2,6-dione, 3,7-dihydro-, 3,7-dihydro-1H-purine-2,6-dione, 3,7-dihydro-purine-2,6-dione, 3,7-dihydropurine-2,6-dione, 7H-xanthine, 9H-Purine-2,6(1H,3H)-dione, 9H-xanthine, Dioxopurine, ISOXANTHINE, MFCD00078453, Purine-2,6(1H,3H)-dione, UREOUS ACID, Xan, Xanthin, Xanthione

Xanthine (CAS 69-89-6) is a compound in the Pharma Intermediates category listed in the Jingsj chemical database. It has the molecular formula C5H4N4O2 and a molecular weight of 152.111 g/mol. Key properties include a melting point of 300 °C, a boiling point of 834.9ºC at 760 mmHg, a density of 1.6±0.1 g/cm3 and a flash point of 458.7ºC. It is classified under GHS with signal word Warning and hazard statements H317 — May cause an allergic skin reaction and H319 — Causes serious eye irritation. No supplier offers are currently listed; request a quote. Record last updated Aug 21, 2026.

CAS No.
69-89-6
Jingsj CID
J-47950-5
Molecular Formula
C5H4N4O2
Molecular Weight
152.111 g/mol
Category
Pharma Intermediates
Last updated
8/21/2026

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Physicochemical Properties

Melting Point300 °C
Boiling Point834.9ºC at 760 mmHg
Density1.6±0.1 g/cm3
Flash Point458.7ºC
Exact Mass152.033432
PSA94.40000
LogP-0.81
Refractive Index1.636
Additional PropertyNH4OH: freely soluble

GHS Safety & Compliance

IrritantSignal word: Warning
  • H317 — May cause an allergic skin reaction
  • H319 — Causes serious eye irritation

Activity & Biological Data

TargetHuman Endogenous Metabolite

Customs & Trade Information

HS Code2933990090
Summary2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Frequently Asked Questions

What is the CAS number of Xanthine?

The CAS number of Xanthine is 69-89-6.

What are the molecular formula and molecular weight of Xanthine?

Xanthine has molecular formula C5H4N4O2 and molecular weight 152.111 g/mol.

Is Xanthine hazardous?

Xanthine has GHS signal word Warning and hazard statements H317 — May cause an allergic skin reaction; H319 — Causes serious eye irritation.

What are the upstream and downstream products of Xanthine?

For Xanthine, Upstream Products: Guanine, Ethyl 4-bromobutyrate, Uric Acid; Downstream Products: 2,6-Dichloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine, Theobromine, 6-Thioxo-6,9-dihydro-1H-purin-2(3H)-one.

Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.

Last updated:

How to cite: Jingsj. "Xanthine (CAS 69-89-6)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-47950-5 (accessed 2026-11-06).

Data for reference only; verify product details with suppliers before purchase.