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ISOCAFFEINE

Product Name
ISOCAFFEINE
CAS No.
519-32-4
Chemical Name
ISOCAFFEINE
Synonyms
Caffeine EP Impurity C;ISOCAFFEINE;CAFFEINE IMP C;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;1,3,9-Trimethyl-3,9-dihydro-1H-puri
CBNumber
CB4138709
Molecular Formula
C8H10N4O2
Formula Weight
194.19
MOL File
519-32-4.mol
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ISOCAFFEINE Property

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
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Safety

WGK Germany 
3
F 
10-23
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P330Rinse mouth.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
PHR1999
Product name
Caffeine Impurity C
Purity
Pharmaceutical Secondary Standard; Certified Reference Material
Packaging
50mg
Price
$647
Updated
2024/03/01
TRC
Product number
I789200
Product name
Isocaffeine
Packaging
500mg
Price
$845
Updated
2021/12/16
Usbiological
Product number
289752
Product name
1,3,9-Trimethylxanthine
Packaging
25mg
Price
$372
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
CHM0094529
Product name
1,3,9-TRIMETHYLXANTHINE
Purity
95.00%
Packaging
100MG
Price
$646.15
Updated
2021/12/16
Chemenu
Product number
CM241009
Product name
1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione
Purity
97%
Packaging
1g
Price
$1122
Updated
2021/12/16
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ISOCAFFEINE Chemical Properties,Usage,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.

ISOCAFFEINE Preparation Products And Raw materials

Raw materials

Preparation Products

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ISOCAFFEINE Suppliers

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519-32-4, ISOCAFFEINERelated Search:

Caffeine IMpurity E HCl EC 1.1.3.22 Caffeine ISOCAFFEINE (1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-PURIN-9-YL)-ACETIC ACID SALOR-INT L307599-1EA SALOR-INT L307513-1EA CAFFEINE IMP. C (EP): 1,3,9-TRIMETHYL-3,9-DIHYDRO-1H-PURINE-2,6-DIONE (ISOCAFFEINE) SALOR-INT L307505-1EA 8-(3-chlorostyryl)caffeine SALOR-INT L307521-1EA SALOR-INT L122831-1EA SALOR-INT L123218-1EA

  • 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
  • 519-32-4
  • Nucleosides, Nucleotides, Oligonucleotides
  • Nucleoside Analogs
  • BioChemical
  • Biochemicals and Reagents