Basic information
- Name:
Acetic acid,2-fluoro-2-iodo-, ethyl ester
- CAS No.:
401-58-1
- Molecular Structure:
- Formula:
- C4H6FIO2
- Molecular Weight:
- 231.99
- Synonyms:
- Aceticacid, fluoroiodo-, ethyl ester (6CI,8CI,9CI);Ethyl fluoroiodoacetate;Ethyliodofluoroacetate;
- Density:
- 1.89 g/cm3
- Boiling Point:
- 176.2 °C at 760 mmHg
- Flash Point:
- 60.3 °C
- Hazard Symbols:
Xi- Risk Codes:
- 10-36/37/38
- Safety Description:
- 16-26-36 Details
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Specification
The Acetic acid,2-fluoro-2-iodo-, ethyl ester 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 Acetic acid,2-fluoro-2-iodo-, ethyl ester 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
