8-heptylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one

名称

[ CAS 号 ]:
4791-39-3

[ 英文名 ]:
8-heptylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one

[英文别名 ]:

物理化学性质

[ 密度 ]:
1.29g/cm3

[ 沸点 ]:
507ºC at 760 mmHg

[ 分子式 ]:
C14H22N4OS2

[ 分子量 ]:
326.48100

[ 闪点 ]:
260.4ºC

[ 精确质量 ]:
326.12400

[ PSA ]:
113.00000

[ LogP ]:
3.39210

[ 折射率 ]:
1.634

毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5638000
CHEMICAL NAME :
Theophylline, 8-heptylthio-6-thio-
CAS REGISTRY NUMBER :
4791-39-3
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H22-N4-O-S2
MOLECULAR WEIGHT :
326.52
WISWESSER LINE NOTATION :
T56 BM DN FNVNYJ CS7 F1 H1 IUS

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#04427

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相关化合物

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