ACETONITRILE, (PURIN-6-YLTHIO)-

Modify Date: 2024-02-02 08:21:01

ACETONITRILE, (PURIN-6-YLTHIO)- Structure
ACETONITRILE, (PURIN-6-YLTHIO)- structure
Common Name ACETONITRILE, (PURIN-6-YLTHIO)-
CAS Number 5443-91-4 Molecular Weight 191.21300
Density 1.61g/cm3 Boiling Point 371.4ºC at 760 mmHg
Molecular Formula C7H5N5S Melting Point N/A
MSDS N/A Flash Point 178.4ºC

 Names

Name 2-(7H-purin-6-ylsulfanyl)acetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.61g/cm3
Boiling Point 371.4ºC at 760 mmHg
Molecular Formula C7H5N5S
Molecular Weight 191.21300
Flash Point 178.4ºC
Exact Mass 191.02700
PSA 103.55000
LogP 0.96858
Index of Refraction 1.822

 Toxicological Information

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

 Synonyms

6-Cyanomethyl MP
6-cyanomethylthiopurine