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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: ACETONITRILE, (PURIN-6-YLTHIO)-
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5443-91-4

5443-91-4 structure

5443-91-4 structure

Name: ACETONITRILE, (PURIN-6-YLTHIO)-
Chemical Name: 2-(7H-purin-6-ylsulfanyl)acetonitrile
CAS Number: 5443-91-4
Molecular Formula: C₇H₅N₅S
Molecular Weight: 191.21300
Create Date: 2017-06-04 15:00:39
Modify Date: 2025-09-23 11:07:42

Name	2-(7H-purin-6-ylsulfanyl)acetonitrile
Synonyms	6-Cyanomethyl MP 6-cyanomethylthiopurine

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

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

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