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5443-91-4

5443-91-4结构式
5443-91-4结构式

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英文名 2-(7H-purin-6-ylsulfanyl)acetonitrile
英文别名 6-Cyanomethyl MP
6-cyanomethylthiopurine
密度 1.61g/cm3
沸点 371.4ºC at 760 mmHg
分子式 C7H5N5S
分子量 191.21300
闪点 178.4ºC
精确质量 191.02700
PSA 103.55000
LogP 0.96858
折射率 1.822

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AM1990000
CHEMICAL NAME :
Acetonitrile, (purin-6-ylthio)-
CAS REGISTRY NUMBER :
5443-91-4
BEILSTEIN REFERENCE NO. :
0013487
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H5-N5-S
MOLECULAR WEIGHT :
191.23

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
115 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. (Bethesda, MD 20205) Volume(issue)/page/year: JAN1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
85 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 71,618,1982