1H-Purine-2,6-dione,7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-

Modify Date: 2025-08-28 19:24:15

1H-Purine-2,6-dione,7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl- structure	Common Name	1H-Purine-2,6-dione,7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-
	CAS Number	5878-61-5	Molecular Weight	242.66200
	Density	1.51g/cm3	Boiling Point	459.8ºC at 760 mmHg
	Molecular Formula	C₉H₁₁ClN₄O₂	Melting Point	122-127ºC
	MSDS	N/A	Flash Point	231.9ºC

Name	7-(2-Chloroethyl)theophylline
Synonym	More Synonyms

Density	1.51g/cm3
Boiling Point	459.8ºC at 760 mmHg
Melting Point	122-127ºC
Molecular Formula	C₉H₁₁ClN₄O₂
Molecular Weight	242.66200
Flash Point	231.9ºC
Exact Mass	242.05700
PSA	61.82000
Index of Refraction	1.671

MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5090000

CHEMICAL NAME :: Theophylline, 7-(2-chloroethyl)-

CAS REGISTRY NUMBER :: 5878-61-5

BEILSTEIN REFERENCE NO. :: 0251755

LAST UPDATED :: 199612

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C9-H11-Cl-N4-O2

MOLECULAR WEIGHT :: 242.69

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 374 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 116,343,1956

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 281 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 116,343,1956

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Bird - quail

DOSE/DURATION :: >100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: EESADV Ecotoxicology and Environmental Safety. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1977- Volume(issue)/page/year: 6,149,1982

Hazard Codes	Xn
Risk Phrases	R22
HS Code	2933990090

Theophylline

CAS#:58-55-9

dichloroethane

CAS#:107-06-2

~98%

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

CAS#:5878-61-5

Literature: Kalcheva, Veneta B.; Apostolova, Tatiana M.; Anakieva, Violeta Z. Journal fuer Praktische Chemie (Leipzig), 1985 , vol. 327, # 1 p. 165 - 168

7-(2-Hydroxyeth...

CAS#:519-37-9

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

CAS#:5878-61-5

Literature: Annali di Chimica (Rome, Italy), , vol. 46, p. 99,102,104

Precursor 3
CAS#:58-55-9 Theophylline CAS#:107-06-2 dichloroethane CAS#:519-37-9 7-(2-Hydroxyeth...
DownStream 4
CAS#:22247-84-3 7-ethenyl-1,3-d... CAS#:35206-02-1 Aminoethyl theo... CAS#:65919-56-4 7-(2-iodoethyl)... CAS#:62401-66-5 7-[2-[1-(4-hydr...

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

MFCD00005760

EINECS 227-553-2

7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione

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1H-Purine-2,6-dione,7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-

Names

Chemical & Physical Properties

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.