8-Chlorotheophylline

8-Chlorotheophylline Basic information
Product Name:8-Chlorotheophylline
Synonyms: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-Chlorotheophylline,99%;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;8-CHLOROTHEOPHYLLINE
CAS:85-18-7
MF:C7H7ClN4O2
MW:214.61
EINECS:201-590-4
Product Categories:Bases & Related Reagents;Heterocycles;Pharmaceutical Raw Materials;Alkaloids (Others);Alkaloids;Nucleotides;Biochemistry
Mol File:85-18-7.mol
8-Chlorotheophylline Structure
8-Chlorotheophylline Chemical Properties
Melting point 290 °C (dec.)(lit.)
Boiling point 455.0±55.0 °C(Predicted)
density 1.8869 (rough estimate)
refractive index 1.5560 (estimate)
storage temp. Inert atmosphere,2-8°C
solubility Soluble in sodium hydroxide.
form Solid
pkapKa 5.28 (Uncertain)
color White to Off-White
Water Solubility SLIGHTLY SOLUBLE
BRN 203068
CAS DataBase Reference85-18-7(CAS DataBase Reference)
NIST Chemistry Reference1H-purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-(85-18-7)
Safety Information
Hazard Codes Xn
Risk Statements 20/21/22-36/37/38-22
Safety Statements 36-37/39-26
RIDADR 2811
WGK Germany 3
RTECS XH5063000
HazardClass 6.1(b)
PackingGroup III
HS Code 29395900
MSDS Information
ProviderLanguage
8-Chloro-1,3-dimethyl-2,6(1H,3H)-purinedione English
ACROS English
SigmaAldrich English
ALFA English
8-Chlorotheophylline Usage And Synthesis
Chemical Propertieswhite to light yellow crystal powder
Uses8-Chlorotheophylline is a stimulant drug. It can be used as a binding agent to form stable salts of pharmaceutical drugs.
DefinitionChEBI: 1,3-Dimethylxanthine in which the hydrogen at position 8 is substituted by chlorine.
Purification MethodsIt crystallises from H2O or EtOH (m 304o, dec). The choline salt crystallises from H2O with m 60-62o (2 H2O) and m 97-99o (anhydrous). [Beilstein 26 H 473, II 276, 26 III/IV 2442.]
8-Chlorotheophylline Preparation Products And Raw materials
Raw materialsIodine-->Caffeine
Chlorodimethylphenylsilane Dimethicone DIMETHYLTHEXYLSILYL CHLORIDE N,N-Dimethylformamide Poly(dimethylsiloxane) tert-Butyldimethylsilyl chloride ETHANE CHLORODIMETHYLVINYLSILANE Dimethyl fumarate Diprophylline Dimethyl sebacate Dimethyl sulfoxide Aminophylline Dimethyl ether N,N-Dimethylacetamide Dimethyl carbonate Doxofylline Dimethyl phthalate

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