Theophylline, 8,8-methylenebis(2-thio-
Names
[ CAS No. ]:
1915-58-8
[ Name ]:
Theophylline, 8,8-methylenebis(2-thio-
[Synonym ]:
Theophylline,8,8'-methylenebis(2-thio
8,8'-methanediylbis(1,3-dimethyl-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one)
8,8-Methylenebis(2-thiotheophylline)
1,3,1',3'-tetramethyl-2,2'-dithioxo-1,2,3,7(9),1',2',3',7'(9')-octahydro-8,8'-methanediyl-bis-purin-6-one
Chemical & Physical Properties
[ Density]:
1.73g/cm3
[ Boiling Point ]:
788.7ºC at 760 mmHg
[ Molecular Formula ]:
C15H16N8O2S2
[ Molecular Weight ]:
404.47000
[ Flash Point ]:
430.8ºC
[ Exact Mass ]:
404.08400
[ PSA ]:
175.40000
[ LogP ]:
0.56340
[ Vapour Pressure ]:
7.61E-25mmHg at 25°C
[ Index of Refraction ]:
1.832
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH6050000
- CHEMICAL NAME :
- Theophylline, 8,8'-methylenebis(2-thio-
- CAS REGISTRY NUMBER :
- 1915-58-8
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C15-H16-N8-O2-S2
- MOLECULAR WEIGHT :
- 404.51
- WISWESSER LINE NOTATION :
- T56 BM DN FNYNVJ F1 GUS H1 C1- CT56 BM DN FNYNVJ F1 GUS H1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 180 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04409
Safety Information
[ HS Code ]:
2933990090
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%