1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[4-fluoro-3-(trifluoromethylsulfanyl)phenyl]urea

Modify Date: 2024-02-06 19:23:40

1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[4-fluoro-3-(trifluoromethylsulfanyl)phenyl]urea structure	Common Name	1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[4-fluoro-3-(trifluoromethylsulfanyl)phenyl]urea
	CAS Number	84897-06-3	Molecular Weight	358.30900
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₂H₁₄F₄N₂O₄S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[4-fluoro-3-(trifluoromethylsulfanyl)phenyl]urea

Molecular Formula	C₁₂H₁₄F₄N₂O₄S
Molecular Weight	358.30900
Exact Mass	358.06100
PSA	130.61000
LogP	1.67930
InChIKey	MWJITOHLJQTIDT-UHFFFAOYSA-N
SMILES	O=C(Nc1ccc(F)c(SC(F)(F)F)c1)NC(CO)(CO)CO

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YT4002000

CHEMICAL NAME :: Urea, N-(4-fluoro-3-((trifluoromethyl)thio)phenyl)-N'-(2-hy droxy-1,1-bis(hydroxy methyl)ethyl)-

CAS REGISTRY NUMBER :: 84897-06-3

LAST UPDATED :: 199712

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C12-H14-F4-N2-O4-S

MOLECULAR WEIGHT :: 358.34

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 :: >2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: APFRAD Annales Pharmaceutiques Francaises. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1943- Volume(issue)/page/year: 40,339,1982

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