6-[(3-fluorophenyl)methylsulfanyl]-7H-purine

Modify Date: 2024-02-03 19:24:50

6-[(3-fluorophenyl)methylsulfanyl]-7H-purine Structure
6-[(3-fluorophenyl)methylsulfanyl]-7H-purine structure
Common Name 6-[(3-fluorophenyl)methylsulfanyl]-7H-purine
CAS Number 73972-54-0 Molecular Weight 260.29000
Density 1.47g/cm3 Boiling Point 396.9ºC at 760 mmHg
Molecular Formula C12H9FN4S Melting Point N/A
MSDS N/A Flash Point 193.8ºC

 Names

Name 6-[(3-fluorophenyl)methylsulfanyl]-7H-purine

 Chemical & Physical Properties

Density 1.47g/cm3
Boiling Point 396.9ºC at 760 mmHg
Molecular Formula C12H9FN4S
Molecular Weight 260.29000
Flash Point 193.8ºC
Exact Mass 260.05300
PSA 79.76000
LogP 2.78430
Index of Refraction 1.725

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO8540000
CHEMICAL NAME :
Purine, 6-(m-fluorobenzylthio)-
CAS REGISTRY NUMBER :
73972-54-0
BEILSTEIN REFERENCE NO. :
0088327
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H9-F-N4-S
MOLECULAR WEIGHT :
260.31
WISWESSER LINE NOTATION :
T56 BM DN FN HNJ IS1R CF

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 :
56 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#03048
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