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

Modify Date: 2024-01-02 12:19:08

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

 Names

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

 Chemical & Physical Properties

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

 Toxicological Information

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

 Safety Information

Hazard Codes Xn
Risk Phrases R22
HS Code 2933990090

 Synthetic Route

~98%

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

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

~%

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

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

CAS#:5878-61-5

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

 Customs

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%

 Synonyms

MFCD00005760
EINECS 227-553-2
7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione
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