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Product Overview

Product Code

TRC-C364780

CAS Number

4921-49-7

Product Format

Neat

Molecular Formula

C8 H9 Cl N4 O2

Molecular Weight

228.64

Product Categories

Impurity Reference Materials , TRC

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Product Information

Chemical Data

Analyte Name

8-Chloro-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione (8-Chlorocaffeine)

CAS Number

4921-49-7

Molecular Formula

C8 H9 Cl N4 O2

Molecular Weight

228.64

Accurate Mass

228.0414

SMILES

CN1C(=O)N(C)c2nc(Cl)n(C)c2C1=O

InChI

InChI=1S/C8H9ClN4O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3

IUPAC

8-chloro-1,3,7-trimethylpurine-2,6-dione

Product Data

Country of Origin

CANADA

Product Format

Neat

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8-Chloro Caffeine

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