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

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

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

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

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

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