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Theobromine

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Theobromine / CAS : 83-67-0

Appearance White to yellow crystalline powder UN -
HS 29398000 DG Class -
Synonyms Diurobromine; Thesodate; 1H-Purine-2,6-Dione, 3,7-Dihydro-3,7-Dimethyl-; 3,7-Dimethyl-3,7-Dihydro-1H-Purine-2,6-Dione; Santheose; Thesal; 3,7-Dimethyl Xanthine; Teobromin; 3,7-Dihydro-3,7-Dimethyl-1H-Purine-2,6-Dione; Theosalvose; Theostene; 3,7-Dimethylpurine-2,6-Dione
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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
3,7-dimethylpurine-2,6-dione
SMILES
CN1C=NC2=C1C(=O)NC(=O)N2C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials
Food(Feed) Additives > Food Additive
Plant and Other Extracts > Plant Extracts

Chemical and Physical Properties

Melting Point
345-350 °C
Density
1.50
Boiling Point
Sublimes 290-295ºC
Flash Point
290-295°C
Appearance
White to yellow crystalline powder
Acidity and Basicity
alkalinity

Export information

HS Code
29398000
Export Rebate
13%
Risk Code
R22-36/37/38-39/23/24/25-23/24/25-11
Safety Label
Xn,Xi,T,F

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