4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)-

Modify Date: 2024-02-16 12:06:26

4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)- structure	Common Name	4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)-
	CAS Number	89069-33-0	Molecular Weight	286.27300
	Density	1.36g/cm3	Boiling Point	366.8ºC at 760 mmHg
	Molecular Formula	C₁₂H₉F₃N₂OS	Melting Point	N/A
	MSDS	N/A	Flash Point	175.6ºC

Name	2-methylsulfanyl-3-[3-(trifluoromethyl)phenyl]pyrimidin-4-one

Density	1.36g/cm3
Boiling Point	366.8ºC at 760 mmHg
Molecular Formula	C₁₂H₉F₃N₂OS
Molecular Weight	286.27300
Flash Point	175.6ºC
Exact Mass	286.03900
PSA	60.19000
LogP	2.97320
Index of Refraction	1.567

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UW7538200

CHEMICAL NAME :: 4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)-

CAS REGISTRY NUMBER :: 89069-33-0

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C12-H9-F3-N2-O-S

MOLECULAR WEIGHT :: 286.29

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 :: 800 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - ataxia

REFERENCE :: IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 22,789,1983

methyl N'-[3-(t...

CAS#:88352-42-5

Ethyl propiolate

CAS#:623-47-2

~47%

4(3H)-Pyrimidin...

CAS#:89069-33-0

Literature: Gupta, K. A.; Saxena, Anil K.; Jain, Padam C.; Dua, P. R.; Prasad, C. R.; Anand, Nitya Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1983 , vol. 22, # 8 p. 789 - 794

Precursor 2
CAS#:88352-42-5 methyl N'-[3-(t... CAS#:623-47-2 Ethyl propiolate
DownStream 0

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4(3H)-Pyrimidinone, 2-(methylthio)-3-(3-(trifluoromethyl)phenyl)-

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream