2-(2-phenylethylsulfanyl)ethyl pyridine-3-carboxylate

Modify Date: 2024-01-12 11:06:05

2-(2-phenylethylsulfanyl)ethyl pyridine-3-carboxylate Structure
2-(2-phenylethylsulfanyl)ethyl pyridine-3-carboxylate structure
Common Name 2-(2-phenylethylsulfanyl)ethyl pyridine-3-carboxylate
CAS Number 101952-70-9 Molecular Weight 287.37700
Density 1.174g/cm3 Boiling Point 442.4ºC at 760mmHg
Molecular Formula C16H17NO2S Melting Point N/A
MSDS N/A Flash Point 221.4ºC

 Names

Name 2-(2-phenylethylsulfanyl)ethyl pyridine-3-carboxylate

 Chemical & Physical Properties

Density 1.174g/cm3
Boiling Point 442.4ºC at 760mmHg
Molecular Formula C16H17NO2S
Molecular Weight 287.37700
Flash Point 221.4ºC
Exact Mass 287.09800
PSA 64.49000
LogP 3.21430
Vapour Pressure 5.02E-08mmHg at 25°C
Index of Refraction 1.589

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QT1993500
CHEMICAL NAME :
Nicotinic acid, 2-(phenethylthio)ethyl ester
CAS REGISTRY NUMBER :
101952-70-9
BEILSTEIN REFERENCE NO. :
0228325
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H17-N-O2-S
MOLECULAR WEIGHT :
287.40
WISWESSER LINE NOTATION :
T6NJ CVO2S2R

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 :
250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHARAT Pharmazie. (VEB Verlag Volk und Gesundheit, Neue Gruenstr. 18, Berlin DDR-1020, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 11,242,1956
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