JA2-4 (NSC99657)
Names
[ CAS No. ]:
6559-86-0
[ Name ]:
JA2-4 (NSC99657)
[Synonym ]:
Theophylline,8-(2-pyrrolidinoethyl)thio-6-thio
Chemical & Physical Properties
[ Density]:
1.45g/cm3
[ Boiling Point ]:
537ºC at 760 mmHg
[ Molecular Formula ]:
C13H19N5OS2
[ Molecular Weight ]:
325.45300
[ Flash Point ]:
278.5ºC
[ Exact Mass ]:
325.10300
[ PSA ]:
116.24000
[ LogP ]:
1.45540
[ Index of Refraction ]:
1.711
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH6497800
- CHEMICAL NAME :
- Theophylline, 8-(2-pyrrolidinoethyl)thio-6-thio-
- CAS REGISTRY NUMBER :
- 6559-86-0
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C13-H19-N5-O-S2
- MOLECULAR WEIGHT :
- 325.49
- WISWESSER LINE NOTATION :
- T56 BM DN FNVNYJ F1 H1 IUS CS2- BT5MTJ
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#04460