1H-Purine-2,6-dione,7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-
Suppliers
Names
[ CAS No. ]:
5878-61-5
[ Name ]:
1H-Purine-2,6-dione,7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-
[Synonym ]:
MFCD00005760
EINECS 227-553-2
7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione
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
MSDS
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
Precursor & DownStream
Precursor
DownStream
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%