Theophylline,8,8'-trimethylenebis[2-thio- (7CI,8CI)
Names
[ CAS No. ]:
6466-29-1
[ Name ]:
Theophylline,8,8'-trimethylenebis[2-thio- (7CI,8CI)
[Synonym ]:
8,8'-propane-1,3-diylbis(1,3-dimethyl-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one)
Theophylline,8,8'-trimethylenebis(2-thio
8,8'-Trimethylenebis(2-thiotheophylline)
Chemical & Physical Properties
[ Density]:
1.63g/cm3
[ Boiling Point ]:
791.3ºC at 760mmHg
[ Molecular Formula ]:
C17H20N8O2S2
[ Molecular Weight ]:
432.52300
[ Flash Point ]:
432.4ºC
[ Exact Mass ]:
432.11500
[ PSA ]:
175.40000
[ LogP ]:
1.14790
[ Index of Refraction ]:
1.784
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH6755000
- CHEMICAL NAME :
- Theophylline, 8,8'-trimethylenebis(2-thio-
- CAS REGISTRY NUMBER :
- 6466-29-1
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C17-H20-N8-O2-S2
- MOLECULAR WEIGHT :
- 432.57
- WISWESSER LINE NOTATION :
- T56 BM DN FNYNVJ F1 GUS H1 C3- CT56 BN 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 :
- 100 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#01414
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%