Molecular Structure of Allyl fluoroacetate (CAS NO.406-23-5):
IUPAC: Prop-2-en-1-yl fluoroacetate
Molecular Formula: C5H7FO2
Molecular Weight: 118.1063
Density: 1.026 g/cm3
Boiling point: 120.9oC at 760 mmHg
Flash point: 27.1oC
Index of Refraction: 1.383
Surface Tension: 23.8 dyne/cm
Enthalpy of Vaporization: 35.9 kJ/mol
Vapour Pressure: 14.9 mmHg at 25oC
SMILES: FCC(=O)OC\C=C
InChI: InChI=1/C5H7FO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2
InChIKey: KPJCWOXNYPYSPJ-UHFFFAOYAC
1. | ihl-mus LCLo:500 mg/m3 | NDRC** National Defense Research Committee, Office of Scientific Research and Development, Progress Report | ||
2. | scu-mus LD50:6 mg/kg | JCSOA9 Journal of the Chemical Society.(1949),916. |
Poison by inhalation and subcutaneous routes. See also ALLYL COMPOUNDS and FLUORIDES. When heated to decomposition it emits toxic fumes of F−.
Allyl fluoroacetate with cas registry number of 406-23-5 is also known as Allylester kyseliny fluoroctove ; Fluoroacetic acid allyl ester ; Acetic acid, fluoro-, allyl ester . Allyl fluoroacetate with cas registry number of 406-23-5 is used as a intermediate.
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