ChemicalBook >> CAS DataBase List >>ISOCAFFEINE
ISOCAFFEINE
- CAS No.
- 519-32-4
- Chemical Name:
- ISOCAFFEINE
- Synonyms
- Caffeine EP Impurity C;ISOCAFFEINE;CAFFEINE IMP C;9-Methyltheophylline;ISOCAFFEINE USP/EP/BP;1,3,9-TRIMETHYLXANTHINE;1,3,9- Trimethyllxanthine;1,3,9-trimethylpurine-2,6-dione;Caffeine IMpurity C (Isocaffeine);2,6-DIHYDROXY-1,3,9-TRIMETHYLPURINE
- CBNumber:
- CB4138709
- Molecular Formula:
- C8H10N4O2
- Molecular Weight:
- 194.19
- MDL Number:
- MFCD00022834
- MOL File:
- 519-32-4.mol
- MSDS File:
- SDS
- TDS File:
- TDS
Last updated:2026-05-28 01:18:34
| Melting point | 288-290°C (dec.) |
|---|---|
| Boiling point | 416.8±37.0 °C(Predicted) |
| Density | 1.45±0.1 g/cm3(Predicted) |
| storage temp. | Room temp |
| solubility | H2O: >20mg/mL |
| form | solid |
| pka | 0.74±0.70(Predicted) |
| color | White to Off-White |
| BRN | 196140 |
| Major Application | (Pharmaceutical small molecule) |
| FDA UNII | N4HG7T2QGW |
| UNSPSC Code | 41106305 |
| NACRES | NA.24 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302 |
| Precautionary statements | P264-P270-P301+P312-P330-P501 |
| WGK Germany | 3 |
| F | 10-23 |
| Storage Class | 11 - Combustible Solids |
ISOCAFFEINE price More Price(29)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | PHR1999 | Caffeine Impurity C Pharmaceutical Secondary Standard; Certified Reference Material | 519-32-4 | 50mg | $751 | 2026-04-30 | Buy |
| Biosynth | FT08061 | 1,3,9-Trimethylxanthine | 519-32-4 | 25mg | $216 | 2026-06-04 | Buy |
| Biosynth | FT08061 | 1,3,9-Trimethylxanthine | 519-32-4 | 50mg | $345.5 | 2026-06-04 | Buy |
| Biosynth | FT08061 | 1,3,9-Trimethylxanthine | 519-32-4 | 100mg | $518 | 2026-06-04 | Buy |
| Biosynth | FT08061 | 1,3,9-Trimethylxanthine | 519-32-4 | 250mg | $1285 | 2026-06-04 | Buy |
ISOCAFFEINE Chemical Properties, Uses, Production
Uses
Isocaffeine is an impurity of Caffeine (C080100), a xanthine alkaloid that acts as a stimulant drug and a reversible acetylcholinesterase inhibitor.
General Description
Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards
Biochem/physiol Actions
1,3,9-Trimethylxanthine is an adenosine receptor antagonist.
Synthesis of ISOCAFFEINE from Formic acid and 5-amino-1,3-dimethyl-6-(methylamino)-1,2,3,4-tetr ahydropyrimidine-2,4-dione
ISOCAFFEINE Preparation Products And Raw materials
Raw materials
6-chloro-1,3-dimethyl-5-nitro-pyrimidine-2,4-quinone
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetonitrile
1,3-Dimethyl-6-(methylamino)-5-nitrouracil
1,3,9-Trimethyl-8-thioxo-8,9-dihydro-7H-purine-2,6(1H,3H)-dione
methyl (1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetate
1of3
Preparation Products
Global Suppliers ( 83)
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Hunan Dikanza Pharmaceutical Technology Co., Ltd. | 0731-15574352414 15574352414 | chenjiawei155477@gmail.com | China | 27 | 58 |
| Shandong Xiya Chemical Co., Ltd | 13355009207 13355009207 | 3007715519@qq.com | China | 18722 | 57 |
| Syntechem Co.,Ltd | info@syntechem.com | China | 12973 | 57 | |
| Sinopharm Chemical Reagent Co,Ltd. | 86-21-63210123 | sj_scrc@sinopharm.com | China | 9791 | 79 |
| Bide Pharmatech Ltd. | 400-164-7117 18317119277 | product02@bidepharm.com | China | 40000 | 60 |
| Quality Control Solutions Ltd. | 0755-66853366 13670046396 | orders@qcsrm.com | China | 18188 | 56 |
| Mashilabs (Shanghai) Co.,Ltd. | 19916721580 | mafarm@126.com | China | 4534 | 58 |
| Shanghai Macklin Biochemical Co.,Ltd. | 15221275939 15221275939 | shenlinxing@macklin.cn | China | 15775 | 55 |
| Shanghai Kewel Chemical Co., Ltd. | 021-64609169 18901607656 | greensnown@163.com | China | 9883 | 50 |
| Jiangsu Aikon Biopharmaceutical R&D co.,Ltd. | 025-66028182 17714375163 | yftan@aikonchem.com | China | 16674 | 50 |
View Latest Price from ISOCAFFEINE manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2025-12-19 | Caffeine EP impurity C
519-32-4
|
5mg | 95%+ | 1000mg | Guangzhou Tosun Pharmaceutical Ltd |
-
- Caffeine EP impurity C
519-32-4
- 95%+
- Guangzhou Tosun Pharmaceutical Ltd
519-32-4 (ISOCAFFEINE) Related Search:
Caffeine IMpurity E HCl
Xanthine Oxidase
Caffeine
ISOCAFFEINE
(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-9-yl)-acetic acid
1of3
2,6-DIHYDROXY-1,3,9-TRIMETHYLPURINE
1,3,9-TRIMETHYLXANTHINE
CAFFEINE IMP C
ISOCAFFEINE
3,9-dihydro-1,3,9-trimethyl-1H-purine-2,6-dione
1,3,9-TRIMETHYLXANTHINE (ISOCAFFEINE) 2, 6-DIHYDROXY-1,3,9-T
2,6-Dihydroxy-1,3,9-trimethylpurine, Isocaffeine
1,3,9- Trimethyllxanthine
1,3,9-triMethyl-1H-purine-2,6(3H,9H)-dione
Caffeine IMpurity C (Isocaffeine)
1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione
Caffeine EP Impurity C
Caffeine Impurity 3(Caffeine EP Impurity C)
1,3,9-trimethylpurine-2,6-dione
Isocaffeine (1,3,9-Trimethylxanthine)
1,3,9-Trimethyl-3,9-dihydro-1H-puri
Caffeine EP Impurity C (Isocaffeine)
1H-Purine-2,6-dione, 3,9-dihydro-1,3,9-trimethyl-
ISOCAFFEINE USP/EP/BP
1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione (Isocaffeine)
1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione - [T94327]
Caffeine Imp. C (EP): 1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione
9-Methyltheophylline
Caffeine EP Impurity C (Caffeine USP Related Compound C, Isocaffeine)
519-32-4
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