1H-Purine-2,6-dione,8-chloro-3,7-dihydro-1,3-dimethyl-7-[(4-nitrophenyl)methyl]-

Modify Date: 2025-08-26 10:34:03

1H-Purine-2,6-dione,8-chloro-3,7-dihydro-1,3-dimethyl-7-[(4-nitrophenyl)methyl]- structure	Common Name	1H-Purine-2,6-dione,8-chloro-3,7-dihydro-1,3-dimethyl-7-[(4-nitrophenyl)methyl]-
	CAS Number	1604-79-1	Molecular Weight	349.72900
	Density	1.61g/cm3	Boiling Point	614.4ºC at 760mmHg
	Molecular Formula	C₁₄H₁₂ClN₅O₄	Melting Point	N/A
	MSDS	N/A	Flash Point	325.4ºC

Name	8-chloro-1,3-dimethyl-7-[(4-nitrophenyl)methyl]purine-2,6-dione
Synonym	More Synonyms

Density	1.61g/cm3
Boiling Point	614.4ºC at 760mmHg
Molecular Formula	C₁₄H₁₂ClN₅O₄
Molecular Weight	349.72900
Flash Point	325.4ºC
Exact Mass	349.05800
PSA	107.64000
LogP	1.56680
Vapour Pressure	4.97E-15mmHg at 25°C
Index of Refraction	1.722

8-Chlorotheophyline structure

8-Chlorotheophyline

CAS#:85-18-7

4-nitrobenzylbromide structure

4-nitrobenzylbromide

CAS#:100-11-8

~80%

1H-Purine-2,6-dione,8-chloro-3,7-dihydro-1,3-dimethyl-7-[(4-nitrophenyl)methyl]- Structure

1H-Purine-2,6-d...

CAS#:1604-79-1

Literature: Petch, Donna; Anderson, Rosaleen J.; Cunningham, Anne; George, Suja E.; Hibbs, David E.; Liu, Ran; MacKay, Simon P.; Paul, Andrew; Small, David A.P.; Groundwater, Paul W. Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 19 p. 5901 - 5914

Precursor 2
CAS#:85-18-7 8-Chlorotheophyline CAS#:100-11-8 4-nitrobenzylbromide
DownStream 0

7-p-Nitrobenzyl-8-chlor-theophyllin

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