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8-Chlorotheophylline-d6
[CAS# 1346598-95-5]

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Identification
Name8-Chlorotheophylline-d6
Molecular StructureCAS # 1346598-95-5, 8-Chlorotheophylline-d6
Molecular FormulaC7H7ClN4O2
Molecular Weight220.65
CAS Registry Number1346598-95-5
SMILES[2H]C([2H])([2H])N1C2=C(C(=O)N(C1=O)C([2H])([2H])[2H])NC(=N2)Cl
Properties
Density1.6±0.1 g/cm3, Calc.*
Index of Refraction1.631, Calc.*
Boiling Point455.0±55.0 °C (760 mmHg), Calc.*
Flash Point229.0±31.5 °C, Calc.*
*Calculated using Advanced Chemistry Development (ACD/Labs) Software.
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