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Home > Product > Heterocyclic Organic Compounds > 7-(2-CHLOROETHYL)THEOPHYLLINE

7-(2-CHLOROETHYL)THEOPHYLLINE | CAS Number: 5878-61-5

Catalog Number
ACM5878615
Product Name
7-(2-CHLOROETHYL)THEOPHYLLINE
Structure
CAS Number
5878-61-5
EC Number
227-553-2
IUPAC Name
7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione
Synonyms
TIMTEC-BB SBB005578;7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-1h-purine-6-dione;7-(2-chloroethyl)-theophyllin;7-(chloroethyl)theophylline;benaphyllin;beta-chloroethyltheophylline;LABOTEST-BB LT00440865;1,3-DIMETHYL-7-(BETA-CHLOROETHYL)XANTHINE
Molecular Weight
242.66
Exact Mass
242.05700
Molecular Formula
C9H11ClN4O2
Boiling Point
459.8ºC at 760 mmHg
Melting Point
122-127ºC
Flash Point
231.9ºC
Density
1.51g/cm3
Purity
96%
Appearance
White solid
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl
InChIKey
QCIARNIKNKKHFH-UHFFFAOYSA-N
H-Bond Donor
0
H-Bond Acceptor
4
Hazard Statements
Xn
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