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Theophylline

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Theophylline / CAS : 58-55-9

Appearance white powder UN 2811
HS 29395900 DG Class 6.1
Synonyms Theophylline Anhydrous; 1,3-Dimethylxanthine; [3H]-Theophyllin; [14C]-Theophyllin; Unifyl; Unidur; Austyn; Slo-Phyllintm; Elixex; [13C]-Theophyllin; 3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione; Accurb; X 115; Duraphy; Nuelin
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Overview

Uses

Properties

Summary

Formula
C7H8N4O2
Molecular Mass
180.16400
Exact Mass
180.06500
PSA
72.68000
Logp
-1.03970
IUPAC
1,3-dimethyl-7H-purine-2,6-dione
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC=N2

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials
API & Intermediate > Veterinary API
Plant and Other Extracts > Plant Extracts

Chemical and Physical Properties

Melting Point
271-273 °C
Density
1.465 g/cm3
Boiling Point
454.1ºC
Flash Point
11 °C
Appearance
white powder
Acidity and Basicity
alkalinity

Export information

HS Code
29395900
Export Rebate
13%
UN No.
2811
DG-Class
6.1
Risk Code
R22-39/23/24/25-23/24/25-11-36/37/38
Safety Label
Xn,T,F,Xi

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