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8-Chlorotheophylline

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8-Chlorotheophylline / CAS : 85-18-7

Appearance White powder UN -
HS 29395900 DG Class -
Synonyms 8-Chloro-1,3-Dimethyl-7H-Purine-2,6-Dione; 1H-Purine-2,6-Dione, 8-Chloro-3,7-Dihydro-1,3-Dimethyl-; H-Purine-2,6-Dione, 8-Chloro-3,7-Dihydro-1,3-Dimethyl-; 1,3-Dimethyl-8-Chloro-9H-Purine-2,6(1H,3H)-Dione; 8-Chloro-1,2,3,6-Tetrahydro-1,3-Dimethyl-7H-Purine-2,6-Dione; 8-Chloro-3,9-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione; Nsc 6113; 8-Chloro-1,3-Dimethyl-1H-Purine-2,6(3H,7H)-Dione
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Properties

Summary

Formula
C7H7ClN4O2
Molecular Mass
214.60900
Exact Mass
214.02600
PSA
72.68000
Logp
-0.38630
IUPAC
8-chloro-1,3-dimethyl-7H-purine-2,6-dione
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates

Chemical and Physical Properties

Melting Point
290 °C (dec.)(lit.)
Density
1.591 g/cm3
Boiling Point
455ºC at 760 mmHg
Flash Point
229ºC
Appearance
White powder

Export information

HS Code
29395900
Export Rebate
13%
Risk Code
20/21/22-36/37/38-22
Safety Label
Xn

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