-
Name
Ethyl iodofluoroacetate
- EINECS
- CAS No. 401-58-1
- Article Data12
- CAS DataBase
- Density 1.89 g/cm3
- Solubility
- Melting Point 68-72℃
- Formula C4H6FIO2
- Boiling Point 176.2 °C at 760 mmHg
- Molecular Weight 231.993
- Flash Point 60.3 °C
- Transport Information
- Appearance
- Safety 16-26-36
- Risk Codes 10-36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Aceticacid, fluoroiodo-, ethyl ester (6CI,8CI,9CI);Ethyl fluoroiodoacetate;Ethyliodofluoroacetate;
- PSA 26.30000
- LogP 1.28010
Ethyl iodofluoroacetate Specification
The Ethyl iodofluoroacetate is an organic compound with the formula C4H6FIO2. The systematic name of this chemical is ethyl fluoro(iodo)acetate. With the CAS registry number 401-58-1, it is also named as Ethyl iodofluoroacetate.
Physical properties about Ethyl iodofluoroacetate are: (1)ACD/LogP: 1.77; (2)ACD/LogD (pH 5.5): 1.77; (3)ACD/LogD (pH 7.4): 1.77; (4)ACD/BCF (pH 5.5): 13.06; (5)ACD/BCF (pH 7.4): 13.06; (6)ACD/KOC (pH 5.5): 219.04; (7)ACD/KOC (pH 7.4): 219.04; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.489; (12)Molar Refractivity: 35.44 cm3; (13)Molar Volume: 122.6 cm3; (14)Polarizability: 14.05×10-24cm3; (15)Surface Tension: 34.2 dyne/cm; (16)Density: 1.89 g/cm3; (17)Flash Point: 60.3 °C; (18)Enthalpy of Vaporization: 41.25 kJ/mol; (19)Boiling Point: 176.2 °C at 760 mmHg; (20)Vapour Pressure: 1.11 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is flammable. Please keep away from sources of ignition - No smoking. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(I)C(=O)OCC
(2)InChI: InChI=1/C4H6FIO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
(3)InChIKey: HEEACDPQRCJXKT-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C4H6FIO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
(5)Std. InChIKey: HEEACDPQRCJXKT-UHFFFAOYSA-N
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