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  • 7-(2-Chloroethyl)Theophylline  5878-61-5
Name:7-(2-Chloroethyl)Theophylline 5878-61-5
CAS No:5878-61-5

PRODUCT DESCRIPTION


Identification
Copyright
CAS # 5878-61-5, 7-(2-Chloroethyl)Theophylline
Name
7-(2-Chloroethyl)Theophylline
Synonyms
7-(2-Chloroethyl)-1,3-Dimethyl-Purine-2,6-Dione; 7-(2-Chloroethyl)-1,3-Dimethyl-Xanthine; Kbioss_002446
Molecular Formula
C9H11ClN4O2
Molecular Weight 242.66
CAS Registry Number
5878-61-5
EINECS 227-553-2
SMILES
C1=NC2=C([N]1CCCl)C(N(C)C(N2C)=O)=O
InChI
1S/C9H11ClN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3
InChIKey QCIARNIKNKKHFH-UHFFFAOYSA-N
down Properties
Desity 1.519g/cm3 (Cal.)
Boiling point 459.786°C at 760 mmHg (Cal.)
Flash point 231.87°C (Cal.)

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