2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(4-fluoropheny l)-

Modify Date: 2025-09-19 18:53:53

2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(4-fluoropheny l)- structure	Common Name	2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(4-fluoropheny l)-
	CAS Number	131541-24-7	Molecular Weight	310.31900
	Density	1.31g/cm3	Boiling Point	405.5ºC at 760mmHg
	Molecular Formula	C₁₉H₁₅FO₃	Melting Point	N/A
	MSDS	N/A	Flash Point	207.9ºC

Name	4-(4-ethynylphenyl)-1-(4-fluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octane

Density	1.31g/cm3
Boiling Point	405.5ºC at 760mmHg
Molecular Formula	C₁₉H₁₅FO₃
Molecular Weight	310.31900
Flash Point	207.9ºC
Exact Mass	310.10100
PSA	27.69000
LogP	2.93230
Vapour Pressure	2.05E-06mmHg at 25°C
Index of Refraction	1.621
InChIKey	ILVPAHNZXOTPCE-UHFFFAOYSA-N
SMILES	C#Cc1ccc(C23OCC(c4ccc(F)cc4)(CO2)CO3)cc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YK9322000

CHEMICAL NAME :: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-ethynylphenyl)-4-(4-fluorophenyl)-

CAS REGISTRY NUMBER :: 131541-24-7

LAST UPDATED :: 199309

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C19-H15-F-O3

MOLECULAR WEIGHT :: 310.34

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 :: 1100 ug/kg

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

REFERENCE :: JAFCAU Journal of Agricultural and Food Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1953- Volume(issue)/page/year: 39,1329,1991

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